SCHEMBL5514529

SCHEMBL5514529

Cc1c(NC(=O)NCCCCN2CCOCC2)cn2ncnc(C3C(=O)Nc4ccccc43)c12

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 4/20 0.44
SHMT2 P34897 1/20 0.42
KDR P35968 3/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
ALDH1A1 P00352 1/20 0.38
MAPK14 Q16539 1/20 0.38
MET P08581 1/20 0.38
CHEK1 O14757 1/20 0.38
BCL3 P20749 1/20 0.37
KMT2A Q03164 2/20 0.37
MAPT P10636 1/20 0.37
MEN1 O00255 1/20 0.37
RAB9A P51151 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
SCHEMBL4050351 0.98 MAP2K1 (0.44) MAP2K1SHMT2KDRSMN1; SMN2ALDH1A1
SCHEMBL4043798 0.95 MAP2K1 (0.48) MAP2K1SHMT2KDRSMN1; SMN2MAPK14
SCHEMBL4042710 0.89 CHEK1 (0.39) MAP2K1KDRMAPK14METCHEK1
SCHEMBL4044052 0.88 KDR (0.54) MAP2K1KDRSMN1; SMN2MAPK14MET
SCHEMBL4042728 0.86 KDR (0.57) MAP2K1KDRSMN1; SMN2ALDH1A1MAPK14
SCHEMBL4044523 0.83 CHEK1 (0.39) KDRALDH1A1MAPK14METCHEK1
SCHEMBL1461285 0.83 MAPK14 (0.53) MAP2K1KDRSMN1; SMN2MAPK14MET
SCHEMBL4044133 0.81 CHEK1 (0.40) KDRSMN1; SMN2ALDH1A1MAPK14CHEK1
SCHEMBL5516119 0.80 KDR (0.48) KDRALDH1A1MAPK14METBCL3
SCHEMBL4053007 0.79 KDR (0.41) KDRALDH1A1MAPK14METCHEK1

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

“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.