SCHEMBL799554

SCHEMBL799554

Cc1ncccc1C(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.41
GABRA1 P14867 1/20 0.40
GABRB2 P47870 1/20 0.40
ALDH1A1 P00352 3/20 0.39
TDP1 Q9NUW8 2/20 0.39
TSHR P16473 1/20 0.39
NOS3 P29474 1/20 0.38
NOS1 P29475 1/20 0.38
NOS2 P35228 1/20 0.38
NPC1 O15118 1/20 0.38
HSP90AA1 P07900 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
P2RX7 Q99572 1/20 0.37
P2RY1 P47900 5/20 0.36
CYP2A6 P11509 1/20 0.35
KMT2A Q03164 2/20 0.35
KDM4E B2RXH2 1/20 0.35
NPSR1 Q6W5P4 2/20 0.35
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2083721 0.82 P2RX7 (0.39) CA2GABRA1GABRB2ALDH1A1TDP1
SCHEMBL18963844 0.82 SLC22A12 (0.37) NOS3NOS1NOS2NPC1HSP90AA1
SCHEMBL171254 0.79 EPHX2 (0.43) ALDH1A1TDP1
SCHEMBL29427008 0.79 EPHX2 (0.43) ALDH1A1TDP1
SCHEMBL8977118 0.79 L3MBTL1 (0.37) ALDH1A1TDP1TSHRNOS3NOS1
SCHEMBL19388381 0.79 P2RX7 (0.37) TDP1NOS3NOS1NOS2NPC1
SCHEMBL19040928 0.79 P2RX7 (0.37) TDP1NOS3NOS1NOS2NPC1
SCHEMBL1741840 0.78 ALDH1A1 (0.44) CA2GABRA1GABRB2ALDH1A1TDP1
Ammonia Solution, Strong SCHEMBL29201291 0.77 EPHX2 (0.42) ALDH1A1TDP1
SCHEMBL2083546 0.77 CYP3A4 (0.39) ALDH1A1TSHRCYP2A6KDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 400 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240238296-A1 METHODS OF REGULATING BCL11A EXPRESSION AND TREATMENT OF BCL11A-MEDIATED DISORDERS FULCRUM THERAPEUTICS INC (US) 2024-07-18 US disclosed
US-20240238296-A1 METHODS OF REGULATING BCL11A EXPRESSION AND TREATMENT OF BCL11A-MEDIATED DISORDERS FULCRUM THERAPEUTICS INC (US) 2024-07-18 US disclosed
US-20240226107-A1 UBIQUITIN-SPECIFIC PROTEASE 1 (USP1) INHIBITOR HAINAN SIMCERE ZAIMING PHARMACEUTICAL CO., LTD. (CN) 2024-07-11 US disclosed
US-12030880-B2 Iminosulfanone compound as bromodomain protein inhibitor and pharmaceutical composition and medical use thereof CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2024-07-09 US disclosed
US-12030853-B2 MASP-2 inhibitors and methods of use OMEROS CORPORATION (US) 2024-07-09 US disclosed
US-12030853-B2 MASP-2 inhibitors and methods of use OMEROS CORPORATION (US) 2024-07-09 US disclosed
US-12030880-B2 Iminosulfanone compound as bromodomain protein inhibitor and pharmaceutical composition and medical use thereof CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2024-07-09 US disclosed
US-20240024490-A1 BIFUNCTIONAL MOLECULES FOR SELECTIVE MODIFICATION OF TARGET SUBSTRATES THE BROAD INSTITUTE, INC. 2024-01-25 US disclosed
US-20230381182-A1 Biomarkers Related to Immune Checkpoint Inhibitor Therapy and Methods of Using the Same SAIL BIOMEDICINES, INC. 2023-11-30 US disclosed
US-20230381182-A1 Biomarkers Related to Immune Checkpoint Inhibitor Therapy and Methods of Using the Same SAIL BIOMEDICINES, INC. 2023-11-30 US disclosed
US-20080051415-A1 Novel piperazines, pharmaceutical compositions and methods of use thereof THE FEINSTEIN INSTITUTES FOR MEDICAL RESEARCH 2008-02-28 US disclosed
US-20080015183-A1 SUBSTITUTED QUINAZOLIN-4-YLAMINE ANALOGUES NEUROGEN CORPORATION (US) 2008-01-17 US disclosed
US-7304059-B2 Substituted quinazolin-4-ylamine analogues NEUROGEN CORPORATION (US) 2007-12-04 US disclosed
US-20070213330-A1 Anticancer agents; antiproliferative agents METHYLGENE INC. (CA) 2007-09-13 US disclosed
US-20070191376-A1 Bicyclic heteroaryl compounds TAKEDA PHARMACEUTICALS U.S.A., INC. 2007-08-16 US disclosed
US-20070191376-A1 Bicyclic heteroaryl compounds TAKEDA PHARMACEUTICALS U.S.A., INC. 2007-08-16 US disclosed
US-7253204-B2 Antiproliferative agents METHYLGENE INC. (CA) 2007-08-07 US disclosed
US-20070037794-A1 4-((5-Chloro-3-(4-methyl-3-trifluoromethylbenzenesulfonylamino)pyridin-2-yl)-oxo-)1H-pyrrolo(2,3-)pyridine;interfere with ligand (monocyte chemoatactic protein-1) for chemokine receptors (CCR2); antiinflammatory agents; immunomodulators; bactericides; viricides; fungicides CHEMOCENTRYX, INC. 2007-02-15 US disclosed
US-20070037794-A1 4-((5-Chloro-3-(4-methyl-3-trifluoromethylbenzenesulfonylamino)pyridin-2-yl)-oxo-)1H-pyrrolo(2,3-)pyridine;interfere with ligand (monocyte chemoatactic protein-1) for chemokine receptors (CCR2); antiinflammatory agents; immunomodulators; bactericides; viricides; fungicides CHEMOCENTRYX, INC. 2007-02-15 US disclosed
US-5403898-A Single arm attached cyclodextrin polysiloxanes and use thereof as chiral stationary phases in chromatographic separation of enantiomers BRIGHAM YOUNG UNIVERSITY (US) 1995-04-04 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (11 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080015183-A1 SUBSTITUTED QUINAZOLIN-4-YLAMINE ANALOGUES PIGS, HRH4, GPR88 CA2 3944/4885GABRA1 249/4885GABRB2 392/4885
US-20230381182-A1 Biomarkers Related to Immune Checkpoint Inhibitor Therapy and Methods of Using the Same AHR, CD274, ARNT CA2 4349/4885GABRA1 1505/4885GABRB2 1542/4885
US-20070037794-A1 4-((5-Chloro-3-(4-methyl-3-trifluoromethylbenzenesulfonylamino)pyridin-2-yl)-oxo-)1H-pyrrolo(2,3-)pyridine;interfere with ligand (monocyte chemoatactic protein-1) for chemokine receptors (CCR2); antiinflammatory agents; immunomodulators; bactericides; viricides; fungicides CCR2, CCR1, CCL2 CA2 1862/4885GABRA1 659/4885GABRB2 1115/4885
US-20070213330-A1 Anticancer agents; antiproliferative agents HDAC1, HDAC11, HDAC5 CA2 1511/4885GABRA1 4802/4885GABRB2 4765/4885
US-12030880-B2 Iminosulfanone compound as bromodomain protein inhibitor and pharmaceutical composition and medical use thereof BRD4, BRD1, BRD3 CA2 3836/4885GABRA1 2681/4885GABRB2 2532/4885
US-20240238296-A1 METHODS OF REGULATING BCL11A EXPRESSION AND TREATMENT OF BCL11A-MEDIATED DISORDERS BCLAF1, EED, BCL3 CA2 3317/4885GABRA1 2550/4885GABRB2 992/4885
US-20240226107-A1 UBIQUITIN-SPECIFIC PROTEASE 1 (USP1) INHIBITOR USP1, USP2, USP3 CA2 2994/4885GABRA1 2184/4885GABRB2 2875/4885
US-20070191376-A1 Bicyclic heteroaryl compounds CYP3A43, CYP11B2, CYP2F1 CA2 3076/4885GABRA1 222/4885GABRB2 120/4885
US-20240024490-A1 BIFUNCTIONAL MOLECULES FOR SELECTIVE MODIFICATION OF TARGET SUBSTRATES COASY, JMJD7, PTMS CA2 4126/4885GABRA1 3548/4885GABRB2 2812/4885
US-20080051415-A1 Novel piperazines, pharmaceutical compositions and methods of use thereof CHRNA7, CHRNA5, CHRNA2 CA2 2903/4885GABRA1 312/4885GABRB2 290/4885
US-12030853-B2 MASP-2 inhibitors and methods of use MASP2, METAP2, SPINT2 CA2 2534/4885GABRA1 4177/4885GABRB2 2699/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.