SCHEMBL4048529

SCHEMBL4048529

CCOC(=O)c1c[nH]c(C(=O)OCC)c1CC

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.47
MEN1 O00255 3/20 0.47
CYP1A2 P05177 2/20 0.47
CYP2C19 P33261 2/20 0.47
CYP2C9 P11712 1/20 0.47
TSHR P16473 1/20 0.47
GABRA1 P14867 2/20 0.47
GABRB2 P47870 2/20 0.47
CLEC4M Q9H2X3 1/20 0.46
CYP3A4 P08684 1/20 0.44
GRM1 Q13255 1/20 0.44
KDM4E B2RXH2 2/20 0.44
GABRB1 P18505 1/20 0.43
GABRA3 P34903 1/20 0.43
ALDH1A1 P00352 3/20 0.42
MAPT P10636 2/20 0.42
LMNA P02545 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HPGD P15428 1/20 0.41

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
SCHEMBL4045293 0.87 MEN1 (0.45) KMT2AMEN1CYP1A2CYP2C19CYP2C9
SCHEMBL9423139 0.84 CYP1A2 (0.49) KMT2AMEN1CYP1A2CYP2C19CYP2C9
SCHEMBL1650715 0.84 CYP1A2 (0.49) KMT2AMEN1CYP1A2CYP2C19CYP2C9
SCHEMBL8805655 0.84 KMT2A (0.43) KMT2AMEN1CYP1A2CYP2C19CYP2C9
SCHEMBL1752519 0.82 GRM1 (0.59) KMT2AMEN1CYP1A2CYP2C19CYP2C9
SCHEMBL19889908 0.81 CLEC4M (0.48) KMT2AMEN1CYP1A2CYP2C19TSHR
SCHEMBL1493615 0.79 ALDH1A1 (0.49) KMT2AMEN1CYP1A2CYP2C19CYP2C9
SCHEMBL8252858 0.79 KDM4E (0.48) KMT2AMEN1CYP1A2CYP2C19CYP2C9
SCHEMBL2555819 0.78 KMT2A (0.46) KMT2AMEN1CYP1A2CYP2C19CYP2C9
SCHEMBL1683438 0.77 NR1H2 (0.47) KMT2AMEN1CYP1A2CYP2C19CYP2C9

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 11 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-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 KMT2A 1516/4885MEN1 4062/4885CYP1A2 992/4885
US-20060004007-A1 Pyrrolotriazine inhibitors of kinases FGFR1, FGFR2, ERBB2 KMT2A 1516/4885MEN1 4062/4885CYP1A2 992/4885

“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.