SCHEMBL798755

SCHEMBL798755

Cc1cncc(C(C)C)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.40
ATM Q13315 1/20 0.36
CYP2A6 P11509 4/20 0.35
LMNA P02545 2/20 0.33
GPR55 Q9Y2T6 1/20 0.33
TRPA1 O75762 2/20 0.32
PTGS1 P23219 1/20 0.32
CACNA1C Q13936 1/20 0.32
CHRM1 P11229 1/20 0.32
SLC6A2 P23975 1/20 0.32
ADRA1A P35348 1/20 0.32
HTR2B P41595 1/20 0.32
NOS3 P29474 2/20 0.31
NOS1 P29475 2/20 0.31
NOS2 P35228 2/20 0.31
PRMT5 O14744 1/20 0.31
WDR77 Q9BQA1 1/20 0.31
KDM4E B2RXH2 1/20 0.31
HTT P42858 1/20 0.31
GRM5 P41594 1/20 0.31

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
SCHEMBL725480 0.84 PRMT5 (0.34) LMNATRPA1PTGS1CACNA1CPRMT5
SCHEMBL28361799 0.81 PRMT5 (0.33) LMNATRPA1PTGS1CACNA1CPRMT5
SCHEMBL8251587 0.81 CYP11B2 (0.42) HCAR2ATMCYP2A6GPR55NOS3
SCHEMBL22138852 0.81 HCAR2 (0.38) HCAR2ATMCYP2A6GPR55NOS3
SCHEMBL15491235 0.81 HCAR2 (0.38) HCAR2ATMCYP2A6GPR55CYP11B1
SCHEMBL9251314 0.78 HCAR2 (0.39) HCAR2ATMCYP2A6GRM5
SCHEMBL12811143 0.78 HCAR2 (0.39) HCAR2ATMCYP2A6GPR55PRMT5
SCHEMBL19380148 0.78 HCAR2 (0.35) HCAR2ATMCYP2A6LMNAGPR55
SCHEMBL14848454 0.78 CYP11B1 (0.47) HCAR2ATMCYP2A6GPR55CYP11B1
SCHEMBL12299270 0.76 HCAR2 (0.38) HCAR2ATMCYP2A6NOS1NOS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109415381-A Thiazolopyridine derivatives as GPR119 agonist 人类制药有限公司 2019-03-01 CN claimed
US-12043620-B2 Benzazole compounds and methods for making and using the compounds RIGEL PHARMACEUTICALS, INC. (US) 2024-07-23 US disclosed
US-12043607-B2 HDAC inhibitors and therapeutic use thereof TANGO THERAPEUTICS, INC. (US) 2024-07-23 US disclosed
US-12043607-B2 HDAC inhibitors and therapeutic use thereof TANGO THERAPEUTICS, INC. (US) 2024-07-23 US disclosed
US-20240239772-A1 PROTEASE INHIBITORS AND METHODS OF USE THE CLEVELAND CLINIC FOUNDATION 2024-07-18 US disclosed
US-20240239756-A1 NOVEL 3, 5-DISUBSTITUTED PYRIDINE AND 3, 5-DISUBSTITUTED PYRIDAZINE DERIVATIVES AND PHARMACEUTICAL USE OF SAME MITSUBISHI TANABE PHARMA CORPORATION (JP) 2024-07-18 US disclosed
US-20240226106-A1 INHIBITORS OF PLASMA KALLIKREIN SHIRE HUMAN GENETIC THERAPIES (US) 2024-07-11 US disclosed
US-12030876-B2 Aryl hydrocarbon receptor (AHR) agonists and uses thereof Ikena Oncology, Inc. (US) 2024-07-09 US disclosed
US-20240218021-A1 CYCLIN INHIBITORS CIRCLE PHARMA, INC. 2024-07-04 US disclosed
WO-2024115512-A1 MICROBIOCIDAL TETRAHYDROISOQUINOLINE DERIVATIVES SYNGENTA CROP PROTECTION AG (CH) 2024-06-06 WO disclosed
US-20090208557-A1 Kinase inhibitors ALLERGAN, INC. 2009-08-20 US disclosed
WO-2009003998-A2 ANTIPROLIFERATIVE COMPOUNDS BASED ON 5-MEMBERED HETEROCYCLES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-01-08 WO disclosed
US-7439246-B2 Fused heterocyclic kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-10-21 US disclosed
US-20080097078-A1 Antibacterial activity against vancomycin-resistant bacteria SHIONOGI & CO., LTD. (JP) 2008-04-24 US disclosed
US-20070237947-A1 Superhydrophobic fibers produced by electrospinning and chemical vapor deposition MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2007-10-11 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-20070032478-A1 Kinase Inhibitors ALLERGAN, INC. 2007-02-08 US disclosed
US-7173031-B2 Pyrrolotriazine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-02-06 US disclosed
WO-2007008895-A1 KINASE INHIBITORS ALLERGAN, INC. (US) 2007-01-18 WO disclosed
WO-2005103055-A1 PYRAZOLO-[4,3-e]-1,2,4-TRIAZOLO-[1,5-c]-PYRIMIDINE ADENOSINE A2A RECEPTOR ANTAGONISTS SCHERING CORPORATION (US) 2005-11-03 WO 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-12043620-B2 Benzazole compounds and methods for making and using the compounds IRAK3, IRAK1, IRAK2 HCAR2 1537/4885ATM 159/4885CYP2A6 2319/4885
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 HCAR2 127/4885ATM 4446/4885CYP2A6 1101/4885
US-12030876-B2 Aryl hydrocarbon receptor (AHR) agonists and uses thereof AHR, ARNT, HCAR1 HCAR2 5/4885ATM 3956/4885CYP2A6 122/4885
US-20090208557-A1 Kinase inhibitors PTK2, MAP3K6, MAP3K20 HCAR2 1735/4885ATM 753/4885CYP2A6 3269/4885
US-20240226106-A1 INHIBITORS OF PLASMA KALLIKREIN KLKB1, KLK5, KLK1 HCAR2 2131/4885ATM 3075/4885CYP2A6 2289/4885
US-20240239756-A1 NOVEL 3, 5-DISUBSTITUTED PYRIDINE AND 3, 5-DISUBSTITUTED PYRIDAZINE DERIVATIVES AND PHARMACEUTICAL USE OF SAME ENPP2, SSB, PLPBP HCAR2 599/4885ATM 4157/4885CYP2A6 1972/4885
US-20240218021-A1 CYCLIN INHIBITORS CCNI, CCNC, CDK2 HCAR2 4508/4885ATM 563/4885CYP2A6 1852/4885
US-20240239772-A1 PROTEASE INHIBITORS AND METHODS OF USE ACE2, ACE, TMPRSS2 HCAR2 3633/4885ATM 2548/4885CYP2A6 1481/4885
US-12043607-B2 HDAC inhibitors and therapeutic use thereof HDAC1, HDAC7, HDAC5 HCAR2 1379/4885ATM 1017/4885CYP2A6 3035/4885
US-20080097078-A1 Antibacterial activity against vancomycin-resistant bacteria CSGALNACT1, MON2, NR2C2 HCAR2 150/4885ATM 3880/4885CYP2A6 580/4885
US-20070032478-A1 Kinase Inhibitors ABL1, LCK, ERBB2 HCAR2 2531/4885ATM 420/4885CYP2A6 4168/4885

“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.