SCHEMBL4046774

SCHEMBL4046774

CCOC(=O)c1cn2nc[nH]c(=O)c2c1CC

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.70
EGFR P00533 6/20 0.49
ERBB2 P04626 6/20 0.49
KDR P35968 3/20 0.48
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
KDM4E B2RXH2 5/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 2/20 0.40
RAB9A P51151 2/20 0.40
HIF1A Q16665 1/20 0.40
LMNA P02545 3/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
MAPT P10636 3/20 0.40
GAA P10253 2/20 0.39
HSD17B10 Q99714 1/20 0.39
MAPK1 P28482 1/20 0.39
MAP2K1 Q02750 1/20 0.39
POLB P06746 1/20 0.38
TDP1 Q9NUW8 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
SCHEMBL4048440 0.90 NR1H2 (0.67) NR1H2EGFRERBB2KDRMEN1
SCHEMBL1730732 0.88 NR1H2 (0.55) NR1H2EGFRERBB2KDRKDM4E
SCHEMBL1728862 0.87 NR1H2 (0.64) NR1H2EGFRERBB2KDRMEN1
SCHEMBL1730410 0.87 NR1H2 (0.73) NR1H2KDRMEN1KMT2AKDM4E
SCHEMBL14110568 0.84 NR1H2 (0.69) NR1H2EGFRERBB2KDRMEN1
SCHEMBL1683457 0.82 NR1H2 (1.00) NR1H2EGFRERBB2KDRMEN1
SCHEMBL16646776 0.82 NR1H2 (0.66) NR1H2MEN1KMT2AKDM4EALDH1A1
SCHEMBL4046899 0.80 NR1H2 (0.64) NR1H2EGFRERBB2MEN1KMT2A
SCHEMBL4046095 0.74 EGFR (0.60) NR1H2EGFRERBB2KDRMAP2K1
SCHEMBL2446434 0.73 NR1H2 (0.55) NR1H2KDRHPGD

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-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-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 (1 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 NR1H2 3177/4885EGFR 27/4885ERBB2 3/4885

“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.