SCHEMBL19783681

SCHEMBL19783681

COc1ncc(N)c(C)c1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.42
TTK P33981 1/20 0.42
AURKB Q96GD4 1/20 0.42
INCENP Q9NQS7 1/20 0.42
MAPT P10636 1/20 0.40
CASP1 P29466 1/20 0.40
PIK3CA P42336 7/20 0.37
HTT P42858 1/20 0.37
RECQL P46063 1/20 0.37
UHRF1 Q96T88 1/20 0.33
AGXT P21549 1/20 0.33
PIK3R1 P27986 1/20 0.32
PIK3CD O00329 1/20 0.32
PIK3CG P48736 1/20 0.32
ALOX5AP P20292 2/20 0.31
FEN1 P39748 2/20 0.31
NOS3 P29474 1/20 0.31
NOS1 P29475 1/20 0.31
NOS2 P35228 1/20 0.31
MKNK1 Q9BUB5 1/20 0.30

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
SCHEMBL31046685 0.83 AURKA (0.44) AURKATTKAURKBINCENPMAPT
SCHEMBL18306471 0.79 PIK3CA (0.36) AURKATTKAURKBINCENPMAPT
SCHEMBL17384691 0.78 KMT2A (0.37) AURKATTKAURKBINCENPPIK3CA
SCHEMBL19783692 0.76 ULK1 (0.37) AURKATTKAURKBINCENPPIK3CA
SCHEMBL31342297 0.76 ULK1 (0.37) AURKATTKAURKBINCENPPIK3CA
SCHEMBL24843657 0.74 UHRF1 (0.38) UHRF1NOS3NOS1NOS2KDM4E
SCHEMBL24174274 0.72 HTT (0.36) AURKATTKAURKBINCENPMAPT
SCHEMBL23803697 0.72 ALDH1A1 (0.45) AURKATTKAURKBINCENPMAPT
SCHEMBL20121221 0.72 KDM4E (0.41) MAPTPIK3CAHTTPIK3R1KDM4E
SCHEMBL3380754 0.71 AURKA (0.44) AURKATTKAURKBINCENPMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12060347-B2 Bicyclic heteroaryl substituted compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2024-08-13 US disclosed
CN-109689647-B Bicyclic heteroaryl substituted compounds 百时美施贵宝公司 2023-01-20 CN disclosed
US-20210163465-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2021-06-03 US disclosed
US-20210163465-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2021-06-03 US disclosed
EP-3484878-B1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2020-08-19 EP disclosed
US-20190292176-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS BISTOL MYERS SQUIBB COMPANY (US) 2019-09-26 US disclosed
US-20190292176-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS BISTOL MYERS SQUIBB COMPANY (US) 2019-09-26 US disclosed
WO-2018013774-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2018-01-18 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 (3 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-12060347-B2 Bicyclic heteroaryl substituted compounds F2, F2RL3, F12 AURKA 2540/4885TTK 1605/4885AURKB 2943/4885
US-20190292176-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS F2, F2RL3, PF4 AURKA 2494/4885TTK 1268/4885AURKB 2994/4885
US-20210163465-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS F2, F2RL3, F12 AURKA 2540/4885TTK 1605/4885AURKB 2943/4885

“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.