SCHEMBL4050351

SCHEMBL4050351

Cc1c(NC(=O)NCCCN2CCOCC2)cn2ncnc(C3C(=O)Nc4ccccc43)c12

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 4/20 0.44
KDR P35968 4/20 0.43
SHMT2 P34897 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ALDH1A1 P00352 1/20 0.41
MET P08581 1/20 0.39
KMT2A Q03164 3/20 0.39
BCL3 P20749 1/20 0.39
MAPT P10636 1/20 0.39
MEN1 O00255 2/20 0.39
RAB9A P51151 1/20 0.39
PDGFRB P09619 1/20 0.39
FLT1 P17948 1/20 0.39
POLB P06746 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
SCHEMBL5514529 0.98 MAP2K1 (0.44) MAP2K1KDRSHMT2SMN1; SMN2ALDH1A1
SCHEMBL4043798 0.95 MAP2K1 (0.48) MAP2K1KDRSHMT2SMN1; SMN2KMT2A
SCHEMBL4042710 0.90 CHEK1 (0.39) MAP2K1KDRMETKMT2AMEN1
SCHEMBL4042728 0.88 KDR (0.57) MAP2K1KDRSMN1; SMN2ALDH1A1MET
SCHEMBL4044052 0.86 KDR (0.54) MAP2K1KDRSMN1; SMN2METKMT2A
SCHEMBL4044523 0.84 CHEK1 (0.39) KDRALDH1A1METKMT2AMAPT
SCHEMBL1461285 0.83 MAPK14 (0.53) MAP2K1KDRSMN1; SMN2METKMT2A
SCHEMBL5516119 0.82 KDR (0.48) KDRALDH1A1METKMT2ABCL3
SCHEMBL4051616 0.81 KDR (0.55) KDRALDH1A1METMAPTPOLB
SCHEMBL4049223 0.80 KDR (0.49) KDRSMN1; SMN2ALDH1A1METMAPT

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 14 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
JP-2003500359-A 2003-01-07 JP claimed
EP-1183033-A4 PYRROLOTRIAZINE INHIBITORS OF KINASES BRISTOL MYERS SQUIBB CO (US) 2002-07-17 EP claimed
EP-1183033-A1 PYRROLOTRIAZINE INHIBITORS OF KINASES BRISTOL-MYERS SQUIBB COMPANY (US) 2002-03-06 EP claimed
WO-2000071129-A1 PYRROLOTRIAZINE INHIBITORS OF KINASES BRISTOL-MYERS SQUIBB COMPANY (US) 2000-11-30 WO claimed
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

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-20060128709-A1 Pyrrolotriazine inhibitors of kinases FGFR1, FGFR2, ERBB2 MAP2K1 602/4885KDR 8/4885SHMT2 2014/4885
US-20060004007-A1 Pyrrolotriazine inhibitors of kinases FGFR1, FGFR2, ERBB2 MAP2K1 602/4885KDR 8/4885SHMT2 2014/4885

“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.