SCHEMBL1104637

SCHEMBL1104637

Cc1cnc2[nH]cnc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 4/20 0.43
CHEK1 O14757 1/20 0.43
PIM1 P11309 1/20 0.43
RPS6KA3 P51812 1/20 0.43
TDP1 Q9NUW8 2/20 0.37
CYP1A2 P05177 1/20 0.36
CCR1 P32246 1/20 0.35
CCR5 P51681 1/20 0.35
CCR8 P51685 1/20 0.35
NOS3 P29474 1/20 0.35
NOS1 P29475 1/20 0.35
NOS2 P35228 1/20 0.35
QPCT Q16769 2/20 0.35
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
APEX1 P27695 1/20 0.33
RECQL P46063 1/20 0.33
BLM P54132 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL21646379 0.75 EGFR (0.37) PARP1CHEK1PIM1RPS6KA3TDP1
SCHEMBL986400 0.74 PRKCI (0.44) PARP1RPS6KA3TDP1KDM4EALDH1A1
SCHEMBL190623 0.74 DYRK1A (0.46) CHEK1PIM1RPS6KA3TDP1QPCT
SCHEMBL30770814 0.74 PRKCI (0.44) PARP1RPS6KA3TDP1KDM4EALDH1A1
SCHEMBL17597488 0.74 ALDH1A1 (0.43) PARP1TDP1QPCTKDM4EALDH1A1
SCHEMBL23731797 0.74 KDM4E (0.33) TDP1KDM4EALDH1A1MAPTAPEX1
SCHEMBL14858833 0.74 PARP1 (0.39) PARP1TDP1QPCTKDM4EALDH1A1
SCHEMBL14858747 0.74 PARP1 (0.39) PARP1TDP1QPCTKDM4EALDH1A1
SCHEMBL4559086 0.74 HRH4 (0.36) TDP1QPCTKDM4EALDH1A1MAPT
SCHEMBL22778810 0.74 IP6K1 (0.44) CHEK1RPS6KA3TDP1QPCTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4257591-A2 INHIBITORS OF LYSINE SPECIFIC DEMETHYLASE-1 Celgene Quanticel Research, Inc. (US) 2023-10-11 EP disclosed
US-11767321-B2 5- and 6-azaindole compounds for inhibition of BCR-ABL tyrosine kinases ENLIVEN INC. (US) 2023-09-26 US disclosed
WO-2023146987-A1 COMPOUNDS AND METHODS OF USE TANGO THERAPEUTICS, INC. (US) 2023-08-03 WO disclosed
WO-2023146990-A1 COMPOUNDS AND METHODS OF USE TANGO THERAPEUTICS, INC. (US) 2023-08-03 WO disclosed
WO-2023146991-A1 COMPOUNDS AND METHODS OF USE TANGO THERAPEUTICS, INC. (US) 2023-08-03 WO disclosed
WO-2023133413-A1 MULTICYCLIC COMPOUNDS SLAP PHARMACEUTICALS LLC (US) 2023-07-13 WO disclosed
US-20230192709-A1 FGFR INHIBITORS AND METHODS OF USE THEREOF RELAY THERAPEUTICS, INC. 2023-06-22 US disclosed
WO-2023096915-A1 MULTICYCLIC COMPOUNDS SLAP PHARMACEUTICALS LLC (US) 2023-06-01 WO disclosed
US-20230104574-A1 FGFR INHIBITORS AND METHODS OF USE THEREOF D.E. SHAW RESEARCH, LLC 2023-04-06 US disclosed
US-11524938-B2 Aromatic sulfonamide derivatives BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2022-12-13 US disclosed
US-20070203209-A1 Useful indole compounds IRONWOOD PHARMACEUTICALS, INC. 2007-08-30 US disclosed
US-20070203209-A1 Useful indole compounds IRONWOOD PHARMACEUTICALS, INC. 2007-08-30 US disclosed
US-7250424-B2 E)-N-methyl-N-(3-methylbenzofuran-2-ylmethyl)-3-(7-oxo-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)acrylamide, useful in the treatment bacterial infections. AFFINIUM PHARMACEUTICALS, INC. (CA) 2007-07-31 US disclosed
US-7250424-B2 E)-N-methyl-N-(3-methylbenzofuran-2-ylmethyl)-3-(7-oxo-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)acrylamide, useful in the treatment bacterial infections. AFFINIUM PHARMACEUTICALS, INC. (CA) 2007-07-31 US disclosed
US-20070135465-A1 Fab I Inhibitor and Process for Preparing Same CRYSTALGENOMICS, INC. (KR) 2007-06-14 US disclosed
US-20070135465-A1 Fab I Inhibitor and Process for Preparing Same CRYSTALGENOMICS, INC. (KR) 2007-06-14 US disclosed
WO-2007043835-A1 FAB I INHIBITOR AND PROCESS FOR PREPARING SAME CRYSTALGENOMICS, INC. (KR) 2007-04-19 WO disclosed
WO-2007022501-A2 USEFUL INDOLE COMPOUNDS MICROBIA, INC. (US) 2007-02-22 WO disclosed
WO-2004021987-A2 TREATMENT OF RHEUMATOID ARTHRITIS BY INHIBITION OF PDE4 MERCK & CO., INC. (US) 2004-03-18 WO disclosed
WO-2003018579-A1 ALKYNE-ARYL PHOSPHODIESTERASE-4 INHIBITORS MERCK FROSST CANADA & CO. (CA) 2003-03-06 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 (6 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-20230192709-A1 FGFR INHIBITORS AND METHODS OF USE THEREOF FGFR3, FGFR2, FGFR1 PARP1 2421/4885CHEK1 527/4885PIM1 789/4885
US-20230104574-A1 FGFR INHIBITORS AND METHODS OF USE THEREOF FGFR3, FGFR2, FGFR1 PARP1 2421/4885CHEK1 527/4885PIM1 789/4885
US-11524938-B2 Aromatic sulfonamide derivatives ARSA, SULT2A1, TPST2 PARP1 3409/4885CHEK1 3331/4885PIM1 218/4885
US-11767321-B2 5- and 6-azaindole compounds for inhibition of BCR-ABL tyrosine kinases ABL1, ABL2, BCR PARP1 1876/4885CHEK1 746/4885PIM1 596/4885
US-20070135465-A1 Fab I Inhibitor and Process for Preparing Same TFPI, TFPI2, FCGRT PARP1 2104/4885CHEK1 4367/4885PIM1 41/4885
US-20070203209-A1 Useful indole compounds TPH2, HRH2, HRH1 PARP1 3494/4885CHEK1 3786/4885PIM1 4387/4885

“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.