SCHEMBL4052269

SCHEMBL4052269

CCOC(=O)c1cn2ncnc(NCc3ccccc3)c2c1CC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 12/20 1.00
ERBB2 P04626 12/20 1.00
MAP2K1 Q02750 1/20 0.54
KDR P35968 2/20 0.52
GAA P10253 1/20 0.49
NPSR1 Q6W5P4 2/20 0.49
RAB9A P51151 1/20 0.49
ALDH1A1 P00352 2/20 0.48
HSD17B10 Q99714 2/20 0.48
KDM4E B2RXH2 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
MEN1 O00255 1/20 0.47
LMNA P02545 1/20 0.47
TP53 P04637 1/20 0.47
POLB P06746 1/20 0.47
MAPT P10636 1/20 0.47
ALOX15 P16050 1/20 0.47
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 0.47
HTT P42858 1/20 0.47

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
SCHEMBL4051402 0.90 EGFR (0.82) EGFRERBB2MAP2K1KDRNPSR1
SCHEMBL4044139 0.90 EGFR (0.82) EGFRERBB2MAP2K1KDRGAA
SCHEMBL4052429 0.89 EGFR (0.79) EGFRERBB2MAP2K1KDR
SCHEMBL27871856 0.88 EGFR (0.79) EGFRERBB2MAP2K1
SCHEMBL4043521 0.87 EGFR (0.77) EGFRERBB2MAP2K1KDRLMNA
SCHEMBL4051045 0.85 EGFR (0.85) EGFRERBB2MAP2K1KDR
SCHEMBL5739637 0.84 EGFR (0.72) EGFRERBB2MAP2K1GAANPSR1
SCHEMBL5512127 0.82 EGFR (0.70) EGFRERBB2MAP2K1KDR
SCHEMBL4045650 0.82 EGFR (0.69) EGFRERBB2MAP2K1KDRNPSR1
SCHEMBL4374656 0.82 EGFR (0.69) EGFRERBB2MAP2K1KDRNPSR1

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 10 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-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 EGFR 27/4885ERBB2 3/4885MAP2K1 602/4885
US-20060004007-A1 Pyrrolotriazine inhibitors of kinases FGFR1, FGFR2, ERBB2 EGFR 27/4885ERBB2 3/4885MAP2K1 602/4885

“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.