SCHEMBL4049919

SCHEMBL4049919

Cc1ccn2ncnc(Oc3ccc([N+](=O)[O-])cc3F)c12

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MET P08581 12/20 0.56
S1PR4 O95977 1/20 0.44
HSPB1 P04792 4/20 0.42
EGFR P00533 1/20 0.39
KDR P35968 1/20 0.39
MAPT P10636 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL4818325 0.88 MET (0.44) METS1PR4HSPB1EGFRKDR
SCHEMBL14017503 0.86 MET (0.43) METS1PR4HSPB1MAPTSMN1; SMN2
SCHEMBL4810999 0.82 MET (0.68) METKDRMAPT
SCHEMBL4814662 0.82 MET (0.55) MET
SCHEMBL4052565 0.82 MET (0.56) METS1PR4HSPB1KDR
SCHEMBL4817688 0.81 MAP4K4 (0.44) METS1PR4HSPB1EGFRKDR
SCHEMBL4047329 0.80 MET (0.59) METEGFRKDR
SCHEMBL24167962 0.77 HSPB1 (0.48) S1PR4HSPB1EGFRMAPT
SCHEMBL3570877 0.77 HSPB1 (0.44) S1PR4HSPB1KDRMAPTSMN1; SMN2
SCHEMBL12406059 0.77 HSPB1 (0.41) METS1PR4HSPB1EGFRKDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1960403-B1 PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2009-05-27 EP disclosed
EP-1960403-B1 PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2009-05-27 EP 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-7348325-B2 Pyrrolotriazine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-03-25 US disclosed
US-7348325-B2 Pyrrolotriazine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-03-25 US disclosed
US-7348325-B2 Pyrrolotriazine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-03-25 US disclosed
WO-2007065100-A1 PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-06-07 WO disclosed
US-20070123534-A1 Pyrrolotriazine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-05-31 US disclosed
US-20070123534-A1 Pyrrolotriazine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-05-31 US disclosed
US-20070123534-A1 Pyrrolotriazine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-05-31 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 (4 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 MET 721/4885S1PR4 4018/4885HSPB1 2930/4885
US-20060004006-A1 Pyrrolotriazine kinase inhibitors MAP3K5, MAP3K15, MAP4K2 MET 2109/4885S1PR4 1787/4885HSPB1 2677/4885
US-20060211695-A1 Fused heterocyclic kinase inhibitors MAP3K20, MAP3K19, ABL1 MET 721/4885S1PR4 4018/4885HSPB1 2930/4885
US-20070123534-A1 Pyrrolotriazine kinase inhibitors MAP3K15, MAP3K5, STK25 MET 1979/4885S1PR4 1722/4885HSPB1 2803/4885

“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.