SCHEMBL4047377

SCHEMBL4047377

COc1c(OCc2ccccc2)cn2nc[nH]c(=O)c12

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.43
HSD17B10 Q99714 3/20 0.40
ALDH1A1 P00352 2/20 0.40
TSHR P16473 2/20 0.40
USP2 O75604 1/20 0.40
MAPT P10636 1/20 0.40
KDM4C Q9H3R0 1/20 0.40
LMNA P02545 1/20 0.40
SIRT2 Q8IXJ6 1/20 0.39
MAPK14 Q16539 1/20 0.39
IP6K1 Q92551 1/20 0.39
CTSV O60911 1/20 0.39
CTSL P07711 1/20 0.39
NR1H2 P55055 1/20 0.38
POLB P06746 1/20 0.38
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
IDO1 P14902 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL4050657 0.76 HTR1A (0.38) HSD17B10ALDH1A1TSHRMAPTKDM4C
SCHEMBL4049523 0.72 HSD17B10 (0.40) HSD17B10ALDH1A1TSHRMAPTKDM4C
SCHEMBL15903732 0.71 IP6K1 (0.43) ADORA3HSD17B10ALDH1A1TSHRUSP2
SCHEMBL14154268 0.69 NR1H2 (0.45) NR1H2
SCHEMBL24567041 0.69 MAPK14 (0.49) ADORA3KDM4CLMNAMAPK14IP6K1
SCHEMBL6641884 0.67 IDO1 (0.60) MAPTKDM4CLMNAMAPK14IP6K1
SCHEMBL7004603 0.66 ALDH1A1 (0.40) HSD17B10ALDH1A1MAPTKDM4CSIRT2
SCHEMBL3275716 0.66 IP6K1 (0.52) HSD17B10ALDH1A1TSHRUSP2MAPT
SCHEMBL1013586 0.66 IP6K1 (0.62) LMNAIP6K1CTSVCTSL
SCHEMBL29548248 0.66 MAPK14 (0.40) HSD17B10ALDH1A1MAPTKDM4CLMNA

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
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-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
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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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 ADORA3 4617/4885HSD17B10 1711/4885ALDH1A1 3836/4885
US-20090227567-A1 METHODS OF TREATING P38 KINASE-ASSOCIATED CONDITIONS AND PYRROLOTRIAZINE COMPOUNDS USEFUL AS KINASE INHIBITORS MAP3K5, MAPK1, MAPKAPK5 ADORA3 4419/4885HSD17B10 1988/4885ALDH1A1 4117/4885
US-20060128709-A1 Pyrrolotriazine inhibitors of kinases FGFR1, FGFR2, ERBB2 ADORA3 4252/4885HSD17B10 2138/4885ALDH1A1 1255/4885
US-20040229877-A1 Methods of treating p38 kinase-associated conditions with pyrrolotriazine compounds MAPK1, MAPK6, MAPK3 ADORA3 4495/4885HSD17B10 1400/4885ALDH1A1 3580/4885

“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.