SCHEMBL4052257

SCHEMBL4052257

Cc1c(N)cn2ncnc(C3C(=O)Nc4ccccc43)c12

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.34
GSK3B P49841 2/20 0.34
MAPT P10636 4/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
ALDH1A1 P00352 1/20 0.32
HTR5A P47898 2/20 0.32
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
KDM4E B2RXH2 2/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
TDO2 P48775 1/20 0.30
MAP2K1 Q02750 1/20 0.30
BRD4 O60885 1/20 0.30
GAA P10253 1/20 0.30

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
SCHEMBL4047213 0.85 PDE4A (0.41) IDO1MAPTL3MBTL1ALDH1A1PDE4A
SCHEMBL4044576 0.85 PDE4A (0.39) IDO1GSK3BMAPTL3MBTL1ALDH1A1
SCHEMBL1459917 0.84 MAPK14 (0.39) IDO1MAPTL3MBTL1ALDH1A1KDM4E
SCHEMBL1462071 0.84 MAPK14 (0.38) IDO1MAPTL3MBTL1ALDH1A1KDM4E
SCHEMBL5740256 0.83 MAPT (0.35) IDO1MAPTL3MBTL1ALDH1A1PDE4A
SCHEMBL14451971 0.82 ALDH1A1 (0.35) IDO1MAPTL3MBTL1ALDH1A1PDE4A
SCHEMBL4048478 0.82 KDR (0.47) MAP2K1
SCHEMBL5518026 0.82 KMT2A (0.32) IDO1ALDH1A1KDM4E
SCHEMBL1462109 0.82 MAPK14 (0.43) MAP2K1
SCHEMBL14452013 0.81 POLB (0.41) IDO1MAPTL3MBTL1TDP1TDO2

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 12 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
CN-1351498-A Pyrrolotriazines inhibitors of kinases BRISTOL MYERS SQUIBB CO (US) 2002-05-29 CN 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
CN-1351498-A Pyrrolotriazines inhibitors of kinases BRISTOL MYERS SQUIBB CO (US) 2002-05-29 CN 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 IDO1 910/4885GSK3B 2075/4885MAPT 2940/4885
US-20060004007-A1 Pyrrolotriazine inhibitors of kinases FGFR1, FGFR2, ERBB2 IDO1 910/4885GSK3B 2075/4885MAPT 2940/4885

“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.