SCHEMBL8169835

SCHEMBL8169835

Nc1cc(F)c2c(c1)C(=O)NC2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRM2 Q14416 1/20 0.44
▸ PIK3CD O00329 3/20 0.39
▸ PIK3CB P42338 3/20 0.39
▸ PIK3CA P42336 2/20 0.39
▸ CLK4 Q9HAZ1 3/20 0.38
▸ PIM1 P11309 2/20 0.38
▸ ROCK1 Q13464 2/20 0.38
▸ CDK5 Q00535 2/20 0.38
▸ DYRK1A Q13627 2/20 0.38
▸ CSNK1A1 P48729 1/20 0.38
▸ LRRK2 Q5S007 1/20 0.38
▸ DYRK1B Q9Y463 1/20 0.38
▸ DAPK3 O43293 1/20 0.37
▸ NTRK1 P04629 1/20 0.37
▸ FLT3 P36888 1/20 0.37
▸ GSK3B P49841 1/20 0.37
▸ GRM5 P41594 3/20 0.35
▸ CA12 O43570 1/20 0.34
▸ CA9 Q16790 1/20 0.34
▸ MAPK14 Q16539 1/20 0.34

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
SCHEMBL25994598 0.83 GRM2 (0.40) GRM2PIK3CDPIK3CBPIK3CACLK4
SCHEMBL18863211 0.80 GRM2 (0.50) GRM2PIK3CDPIK3CBPIK3CACLK4
SCHEMBL24147834 0.79 CLK4 (0.53) GRM2PIK3CDPIK3CBPIK3CACLK4
SCHEMBL8170641 0.79 CLK4 (0.37) GRM2PIK3CDPIK3CBPIK3CACLK4
SCHEMBL12240961 0.77 CLK4 (0.44) GRM2PIK3CDPIK3CBPIK3CACLK4
SCHEMBL17141660 0.77 CLK4 (0.46) GRM2PIK3CDPIK3CBPIK3CACLK4
SCHEMBL3532428 0.76 GRM2 (0.46) GRM2PIK3CDPIK3CBPIK3CACLK4
SCHEMBL30004086 0.74 GRM2 (0.42) GRM2PIK3CDPIK3CBPIK3CACLK4
SCHEMBL27086356 0.74 GRM2 (0.42) GRM2PIK3CDPIK3CBPIK3CACLK4
SCHEMBL1334382 0.74 KDR (0.54) GRM2PIK3CDPIK3CBPIK3CACLK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014075387-A1 DIARYL HYDANTOIN DERIVATIVE, AND PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE THEREOF 上海医药集团股份有限公司 (CN) 2014-05-22 — — WO disclosed
US-8039506-B2 Bicyclic lactam factor VIIa inhibitors useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2011-10-18 — — US disclosed
US-8039506-B2 Bicyclic lactam factor VIIa inhibitors useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2011-10-18 — — US disclosed
US-20100041664-A1 BICYCLIC LACTAM FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY 2010-02-18 — — US disclosed
US-20100041664-A1 BICYCLIC LACTAM FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY 2010-02-18 — — US disclosed
WO-2008079759-A1 BICYCLIC LACTAM FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-07-03 — — 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 (1 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-20100041664-A1 BICYCLIC LACTAM FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS F7, F8, F9 GRM2 4565/4885PIK3CD 3294/4885PIK3CB 3089/4885

“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.

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