SCHEMBL1779129

SCHEMBL1779129

CCOC(=O)C(Cl)=NNc1ccc(F)cc1Cl

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.47
TLR4 O00206 4/20 0.45
ABCB1 P08183 1/20 0.45
GAA P10253 6/20 0.45
TP53 P04637 1/20 0.45
NPSR1 Q6W5P4 2/20 0.44
LMNA P02545 3/20 0.43
NPC1 O15118 1/20 0.42
ATM Q13315 1/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 1/20 0.42
THRB P10828 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL1779128 1.00 MAPT (0.47) MAPTTLR4ABCB1GAATP53
SCHEMBL25412997 0.88 MAPT (0.49) MAPTGAANPSR1LMNANPC1
SCHEMBL29270703 0.88 MAPT (0.49) MAPTGAANPSR1LMNANPC1
SCHEMBL26349860 0.88 MAPT (0.49) MAPTGAANPSR1LMNANPC1
SCHEMBL502387 0.86 ABCB1 (0.53) MAPTABCB1GAATP53LMNA
SCHEMBL14141132 0.86 CYP1A2 (0.50) MAPTABCB1GAATP53NPSR1
SCHEMBL10056749 0.86 ABCB1 (0.53) MAPTABCB1GAATP53LMNA
SCHEMBL502388 0.86 ABCB1 (0.53) MAPTABCB1GAATP53LMNA
SCHEMBL14275243 0.85 TSHR (0.44) MAPTABCB1GAANPSR1LMNA
SCHEMBL23367256 0.85 MAPT (0.44) MAPTTLR4ABCB1GAATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8309571-B2 Heterobicyclic compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-11-13 US disclosed
US-20110190292-A1 HETEROBICYCLIC COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2011-08-04 US disclosed
US-7943617-B2 Especially p38 MAP kinase alpha and beta; 2,4-difluorophenyl(3-(2-(trifluoromethyl)phenyl)-5,6-dihydroimidazo[1,5-a]pyrazin-7(8H)-yl)methanone BRISTOL-MYERS SQUIBB COMPANY (US) 2011-05-17 US disclosed
US-20080275052-A1 HETEROBICYCLIC COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2008-11-06 US 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-20080275052-A1 HETEROBICYCLIC COMPOUNDS USEFUL AS KINASE INHIBITORS MAP2K2, MAP2K6, MAP2K1 MAPT 2445/4885TLR4 4665/4885ABCB1 420/4885
US-20110190292-A1 HETEROBICYCLIC COMPOUNDS USEFUL AS KINASE INHIBITORS MAP2K2, MAP2K6, MAP2K1 MAPT 2445/4885TLR4 4665/4885ABCB1 420/4885

“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.