SCHEMBL4819441

SCHEMBL4819441

Nc1cnc(Oc2ccnc3[nH]ccc23)c(Cl)c1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AXL P30530 2/20 0.49
PRKCI P41743 2/20 0.49
ROCK2 O75116 5/20 0.46
MET P08581 8/20 0.43
BRD4 O60885 1/20 0.43
TRPA1 O75762 1/20 0.40
MKNK1 Q9BUB5 1/20 0.39
MKNK2 Q9HBH9 1/20 0.39
NUDT1 P36639 1/20 0.39
KDR P35968 1/20 0.39

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
SCHEMBL3485162 0.83 ROCK2 (0.52) AXLPRKCIROCK2MET
SCHEMBL4251954 0.79 AXL (0.43) AXLPRKCIROCK2METBRD4
SCHEMBL4462225 0.76 PDGFRA (0.56) KDR
SCHEMBL24885851 0.75 ROCK2 (0.49) ROCK2METBRD4KDR
SCHEMBL31290944 0.75 ROCK2 (0.49) ROCK2METBRD4KDR
SCHEMBL1896008 0.75 TTBK1 (0.56) AXLPRKCIROCK2METTRPA1
SCHEMBL4821345 0.74 ROCK2 (0.57) AXLPRKCIROCK2MET
SCHEMBL29424797 0.73 BRD4 (0.60) AXLPRKCIMETBRD4NUDT1
SCHEMBL298491 0.73 BRD4 (0.60) AXLPRKCIMETBRD4NUDT1
SCHEMBL2877126 0.73 ROCK2 (0.54) ROCK2METTRPA1NUDT1

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-7439246-B2 Fused heterocyclic kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-10-21 US disclosed
US-7439246-B2 Fused heterocyclic kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-10-21 US disclosed
US-7439246-B2 Fused heterocyclic kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-10-21 US disclosed
US-7173031-B2 Pyrrolotriazine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-02-06 US disclosed
US-7173031-B2 Pyrrolotriazine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-02-06 US disclosed
US-7173031-B2 Pyrrolotriazine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-02-06 US disclosed
US-20060211695-A1 Fused heterocyclic kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2006-09-21 US disclosed
US-20060004006-A1 Pyrrolotriazine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2006-01-05 US disclosed
US-20050288290-A1 Fused heterocyclic kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2005-12-29 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 (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-20050288290-A1 Fused heterocyclic kinase inhibitors MAP3K20, MAP3K19, ABL1 AXL 452/4885PRKCI 25/4885ROCK2 395/4885
US-20060004006-A1 Pyrrolotriazine kinase inhibitors MAP3K5, MAP3K15, MAP4K2 AXL 880/4885PRKCI 22/4885ROCK2 433/4885
US-20060211695-A1 Fused heterocyclic kinase inhibitors MAP3K20, MAP3K19, ABL1 AXL 452/4885PRKCI 25/4885ROCK2 395/4885

“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.