SCHEMBL4046871

SCHEMBL4046871

CCOC(=O)CN(C=C(C(=O)OCC)C(=O)OCC)Cc1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.54
KMT2A Q03164 5/20 0.54
NR1H4 Q96RI1 1/20 0.48
PIN1 Q13526 1/20 0.44
MAPT P10636 5/20 0.44
LMNA P02545 4/20 0.44
ALDH1A1 P00352 3/20 0.44
GAA P10253 2/20 0.44
POLB P06746 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
HSD17B10 Q99714 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
LTA4H P09960 1/20 0.44
TP53 P04637 1/20 0.41
DHODH Q02127 2/20 0.41
PPID Q08752 1/20 0.41
PLIN1 O60240 1/20 0.41
PLIN5 Q00G26 1/20 0.41
ABHD5 Q8WTS1 1/20 0.41
NPSR1 Q6W5P4 2/20 0.40

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
SCHEMBL7474024 0.90 PPID (0.47) MEN1KMT2ANR1H4PIN1MAPT
SCHEMBL2834704 0.83 ALDH1A1 (0.48) MEN1KMT2APIN1LMNAALDH1A1
SCHEMBL4046878 0.82 TP53 (0.40) MEN1KMT2ANR1H4PIN1MAPT
SCHEMBL19796001 0.82 ALDH1A1 (0.42) MEN1KMT2APIN1MAPTLMNA
SCHEMBL10861409 0.80 KMT2A (0.55) MEN1KMT2ANR1H4MAPTLMNA
SCHEMBL13898294 0.79 MEN1 (0.48) MEN1KMT2ANR1H4PIN1MAPT
SCHEMBL10885112 0.78 MEN1 (0.47) MEN1KMT2ANR1H4MAPTLMNA
SCHEMBL3184733 0.78 ALDH1A1 (0.54) PIN1MAPTLMNAALDH1A1POLB
SCHEMBL19041350 0.77 CYP2C19 (0.41) PIN1MAPTLMNAALDH1A1GAA
SCHEMBL254781 0.76 ALDH1A1 (0.53) PIN1MAPTLMNAALDH1A1POLB

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
US-20090227567-A1 METHODS OF TREATING P38 KINASE-ASSOCIATED CONDITIONS AND PYRROLOTRIAZINE COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2009-09-10 US disclosed
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-1363910-B1 METHODS OF TREATING P38 KINASE-ASSOCIATED CONDITIONS AND PYRROLOTRIAZINE COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2006-03-01 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
US-20040229877-A1 Methods of treating p38 kinase-associated conditions with pyrrolotriazine compounds LEFTHERIS KATERINA (US) 2004-11-18 US disclosed
US-6670357-B2 Antiinflammatory agents BRISTOL-MYERS SQUIBB COMPANY 2003-12-30 US disclosed
EP-1363910-A2 METHODS OF TREATING P38 KINASE-ASSOCIATED CONDITIONS AND PYRROLOTRIAZINE COMPOUNDS USEFUL AS KINASE INHIBITORS Bristol-Myers Squibb Company (US) 2003-11-26 EP disclosed
US-20030069244-A1 Methods of treating p38 kinase-associated conditions and pyrrolotriazine compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2003-04-10 US disclosed
WO-2002040486-A2 METHODS OF TREATING p38 KINASE-ASSOCIATED CONDITIONS AND PYRROLOTRIAZINE COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2002-05-23 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 (5 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-20030069244-A1 Methods of treating p38 kinase-associated conditions and pyrrolotriazine compounds useful as kinase inhibitors MAPK1, MAPK3, MAPK6 MEN1 2998/4885KMT2A 994/4885NR1H4 482/4885
US-20090227567-A1 METHODS OF TREATING P38 KINASE-ASSOCIATED CONDITIONS AND PYRROLOTRIAZINE COMPOUNDS USEFUL AS KINASE INHIBITORS MAP3K5, MAPK1, MAPKAPK5 MEN1 2725/4885KMT2A 1124/4885NR1H4 368/4885
US-20060128709-A1 Pyrrolotriazine inhibitors of kinases FGFR1, FGFR2, ERBB2 MEN1 4062/4885KMT2A 1516/4885NR1H4 3323/4885
US-20060004007-A1 Pyrrolotriazine inhibitors of kinases FGFR1, FGFR2, ERBB2 MEN1 4062/4885KMT2A 1516/4885NR1H4 3323/4885
US-20040229877-A1 Methods of treating p38 kinase-associated conditions with pyrrolotriazine compounds MAPK1, MAPK6, MAPK3 MEN1 2256/4885KMT2A 938/4885NR1H4 334/4885

“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.