SCHEMBL1679504

SCHEMBL1679504

COc1cccc(-c2cc(Br)cnc2N)c1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FYN P06241 6/20 0.64
CHEK2 O96017 1/20 0.55
TDO2 P48775 1/20 0.54
TGFBR1 P36897 1/20 0.53
ACVR1 Q04771 1/20 0.53
ADORA2A P29274 1/20 0.52
ADORA1 P30542 1/20 0.52
DYRK1A Q13627 1/20 0.47
CLK4 Q9HAZ1 1/20 0.47
CLK1 P49759 4/20 0.47
CDK5 Q00535 2/20 0.47
CDK5R1 Q15078 2/20 0.47
MAP4K4 O95819 1/20 0.47
KIT P10721 1/20 0.45
ABL1 P00519 1/20 0.44
EGFR P00533 1/20 0.44
CDK1 P06493 1/20 0.44
SRC P12931 1/20 0.44
ABL2 P42684 1/20 0.44

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
SCHEMBL29858064 1.00 FYN (0.64) FYNCHEK2TDO2TGFBR1ACVR1
SCHEMBL1678649 0.82 MGAT2 (0.49) FYNTDO2ADORA2AADORA1DYRK1A
SCHEMBL19721378 0.81 KMT2A (0.47) FYNMAP4K4
SCHEMBL29857982 0.80 ADORA1 (0.49) FYNACVR1ADORA2AADORA1DYRK1A
SCHEMBL12516853 0.80 ADORA1 (0.49) FYNACVR1ADORA2AADORA1DYRK1A
SCHEMBL12806925 0.80 CYP2C19 (0.49) FYNTDO2ADORA2AADORA1DYRK1A
SCHEMBL2713495 0.79 ADORA2A (0.49) FYNTDO2ADORA2AADORA1DYRK1A
SCHEMBL26916452 0.79 FYN (0.60) FYNCHEK2TDO2TGFBR1ACVR1
SCHEMBL30521818 0.78 FYN (1.00) FYNCHEK2TGFBR1ACVR1MAP4K4
SCHEMBL4620276 0.78 FYN (1.00) FYNCHEK2TGFBR1ACVR1MAP4K4

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240174683-A1 MAP4K1 INHIBITORS BAYER AKTIENGESELLSCHAFT (DE) 2024-05-30 US disclosed
EP-4288437-A1 MAP4K1 INHIBITORS Bayer Aktiengesellschaft (DE) 2023-12-13 EP disclosed
WO-2022167627-A1 MAP4K1 INHIBITORS BAYER AKTIENGESELLSCHAFT (DE) 2022-08-11 WO disclosed
US-20110098325-A1 PYRIDINE BENZAMIDES AND PYRAZINE BENZAMIDES USED AS PKD INHIBITORS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2011-04-28 US disclosed
US-20110098325-A1 PYRIDINE BENZAMIDES AND PYRAZINE BENZAMIDES USED AS PKD INHIBITORS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2011-04-28 US disclosed
US-20110098325-A1 PYRIDINE BENZAMIDES AND PYRAZINE BENZAMIDES USED AS PKD INHIBITORS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2011-04-28 US disclosed
EP-2114887-A1 PYRIDINE BENZAMIDES AND PYRAZINE BENZAMIDES USED AS PKD INHIBITORS Cancer Research Technology Limited (GB) 2009-11-11 EP disclosed
WO-2008074997-A1 PYRIDINE BENZAMIDES AND PYRAZINE BENZAMIDES USED AS PKD INHIBITORS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2008-06-26 WO disclosed
WO-2008074997-A1 PYRIDINE BENZAMIDES AND PYRAZINE BENZAMIDES USED AS PKD INHIBITORS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2008-06-26 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 (2 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-20240174683-A1 MAP4K1 INHIBITORS MAP3K4, MAP4K4, MAP4K1 FYN 560/4885CHEK2 227/4885TDO2 4766/4885
US-20110098325-A1 PYRIDINE BENZAMIDES AND PYRAZINE BENZAMIDES USED AS PKD INHIBITORS PKD2, PKD1, BAZ2B FYN 1665/4885CHEK2 587/4885TDO2 3143/4885

“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.