SCHEMBL4048217

SCHEMBL4048217

COc1c(C(=O)NCCCn2cncn2)cn2ncnc(C3C(=O)Nc4ccccc43)c12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.37
GSK3A P49840 1/20 0.37
GSK3B P49841 1/20 0.37
IDE P14735 1/20 0.37
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 1/20 0.36
KDR P35968 5/20 0.35
MEN1 O00255 1/20 0.35
USP2 O75604 1/20 0.35
TSHR P16473 1/20 0.35
KMT2A Q03164 1/20 0.35
HSD17B10 Q99714 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
HTR4 Q13639 1/20 0.34
BRD4 O60885 2/20 0.33
CREBBP Q92793 2/20 0.33
EGFR P00533 1/20 0.33
ERBB2 P04626 1/20 0.33
TP53 P04637 1/20 0.32
MAPK1 P28482 1/20 0.32

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
SCHEMBL4112567 0.90 KDR (0.43) IDEKDRMEN1USP2TSHR
SCHEMBL5516119 0.85 KDR (0.48) MAPTKDM4EALDH1A1KDRMEN1
SCHEMBL4045431 0.80 KDR (0.53) KDM4EALDH1A1KDRTSHRKMT2A
SCHEMBL4041795 0.80 PDE4A (0.34) MAPTKDM4EALDH1A1TSHRHSD17B10
SCHEMBL4051219 0.79 KDR (0.55) IDEKDRMAPK14
SCHEMBL4045438 0.78 KDR (0.43) IDEKDREGFRERBB2MAPK14
SCHEMBL4046643 0.78 MAPK14 (0.50) KDM4EALDH1A1KDRMAPK14
SCHEMBL1461254 0.77 KDR (0.44) IDEKDREGFRERBB2MAPK14
SCHEMBL4046214 0.77 MEN1 (0.41) MAPTKDM4EALDH1A1MEN1USP2
SCHEMBL4051616 0.77 KDR (0.55) MAPTKDM4EALDH1A1KDRTSHR

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 15 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
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-7244733-B2 Pyrrolotriazine inhibitors of kinases BRISTOL-MYERS SQUIBB COMPANY (US) 2007-07-17 US 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
EP-1183033-A4 PYRROLOTRIAZINE INHIBITORS OF KINASES BRISTOL MYERS SQUIBB CO (US) 2002-07-17 EP disclosed
EP-1183033-A1 PYRROLOTRIAZINE INHIBITORS OF KINASES BRISTOL-MYERS SQUIBB COMPANY (US) 2002-03-06 EP disclosed
WO-2000071129-A1 PYRROLOTRIAZINE INHIBITORS OF KINASES BRISTOL-MYERS SQUIBB COMPANY (US) 2000-11-30 WO 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 MAPT 2940/4885GSK3A 2550/4885GSK3B 2075/4885
US-20060004007-A1 Pyrrolotriazine inhibitors of kinases FGFR1, FGFR2, ERBB2 MAPT 2940/4885GSK3A 2550/4885GSK3B 2075/4885

“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.