SCHEMBL4049223

SCHEMBL4049223

Cc1c(C(=O)NCCCN2CCN(C)CC2)cn2ncnc(C3C(=O)Nc4ccccc43)c12

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDR P35968 7/20 0.49
MAPT P10636 2/20 0.44
MET P08581 2/20 0.41
KDM4E B2RXH2 3/20 0.41
GAA P10253 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MAPK14 Q16539 2/20 0.40
ALDH1A1 P00352 2/20 0.40
HSD17B10 Q99714 2/20 0.40
HPGD P15428 1/20 0.40
DRD2 P14416 1/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA9 Q16790 2/20 0.39
TSHR P16473 1/20 0.38

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
SCHEMBL4051616 0.94 KDR (0.55) KDRMAPTMETKDM4EGAA
SCHEMBL4042728 0.92 KDR (0.57) KDRMAPTMETKDM4ESMN1; SMN2
SCHEMBL4044052 0.90 KDR (0.54) KDRMAPTMETKDM4ESMN1; SMN2
SCHEMBL4044911 0.90 KDR (0.49) KDRMAPK14TSHR
SCHEMBL4051219 0.89 KDR (0.55) KDRMAPK14
SCHEMBL1461285 0.88 MAPK14 (0.53) KDRMETSMN1; SMN2MAPK14
SCHEMBL1462059 0.87 MET (0.37) KDRMETMAPK14DRD2
SCHEMBL4045431 0.86 KDR (0.53) KDRKDM4ESMN1; SMN2MAPK14ALDH1A1
SCHEMBL4112567 0.86 KDR (0.43) KDRMAPK14HSD17B10TSHR
SCHEMBL1461254 0.85 KDR (0.44) KDRMAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1183033-B1 PYRROLOTRIAZINE INHIBITORS OF KINASES BRISTOL MYERS SQUIBB CO (US) 2006-03-01 EP claimed
US-6982265-B1 Pyrrolotriazine inhibitors of kinases BRISTOL MYERS SQUIBB COMPANY (US) 2006-01-03 US claimed
US-20090227567-A1 METHODS OF TREATING P38 KINASE-ASSOCIATED CONDITIONS AND PYRROLOTRIAZINE COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2009-09-10 US disclosed
EP-1669071-B1 Pyrrolotriazine inhibitors of kinases BRISTOL MYERS SQUIBB CO (US) 2009-07-22 EP disclosed
US-7244733-B2 Pyrrolotriazine inhibitors of kinases BRISTOL-MYERS SQUIBB COMPANY (US) 2007-07-17 US disclosed
US-7112675-B2 Pyrrolotriazine inhibitors of kinases BRISTOL-MYERS SQUIBB COMPANY (US) 2006-09-26 US disclosed
US-20060128709-A1 Pyrrolotriazine inhibitors of kinases BRISTOL-MYERS SQUIBB COMPANY 2006-06-15 US disclosed
EP-1669071-A1 Pyrrolotriazine inhibitors of kinases BRISTOL-MYERS SQUIBB COMPANY (US) 2006-06-14 EP disclosed
EP-1183033-B1 PYRROLOTRIAZINE INHIBITORS OF KINASES BRISTOL MYERS SQUIBB CO (US) 2006-03-01 EP disclosed
US-20060004007-A1 Pyrrolotriazine inhibitors of kinases BRISTOL-MYERS SQUIBB COMPANY 2006-01-05 US disclosed
US-6982265-B1 Pyrrolotriazine inhibitors of kinases BRISTOL MYERS SQUIBB COMPANY (US) 2006-01-03 US disclosed
US-6670357-B2 Antiinflammatory agents BRISTOL-MYERS SQUIBB COMPANY 2003-12-30 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-20090227567-A1 METHODS OF TREATING P38 KINASE-ASSOCIATED CONDITIONS AND PYRROLOTRIAZINE COMPOUNDS USEFUL AS KINASE INHIBITORS MAP3K5, MAPK1, MAPKAPK5 KDR 3537/4885MAPT 3283/4885MET 669/4885
US-20060128709-A1 Pyrrolotriazine inhibitors of kinases FGFR1, FGFR2, ERBB2 KDR 8/4885MAPT 2940/4885MET 103/4885
US-20060004007-A1 Pyrrolotriazine inhibitors of kinases FGFR1, FGFR2, ERBB2 KDR 8/4885MAPT 2940/4885MET 103/4885

“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.