SCHEMBL5606433

SCHEMBL5606433

CNC(=O)c1cn2nc[nH]c(=O)c2c1C(C)C

nearest known ligand 0.65

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.65
ROCK1 Q13464 1/20 0.58
KDR P35968 10/20 0.35
BRD4 O60885 1/20 0.33
MAPK14 Q16539 4/20 0.32
MAP2K1 Q02750 1/20 0.31
TLR8 Q9NR97 1/20 0.31
TLR7 Q9NYK1 1/20 0.31
SPR P35270 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
SCHEMBL4225009 0.88 NR1H2 (0.67) NR1H2ROCK1KDR
SCHEMBL17324743 0.86 NR1H2 (0.70) NR1H2ROCK1KDR
SCHEMBL4817943 0.85 NR1H2 (0.69) NR1H2ROCK1KDR
SCHEMBL1683479 0.84 NR1H2 (0.76) NR1H2ROCK1KDR
SCHEMBL17321388 0.84 NR1H2 (0.67) NR1H2ROCK1KDR
SCHEMBL12728715 0.72 NR1H2 (0.52) NR1H2ROCK1KDRBRD4MAPK14
SCHEMBL2447815 0.72 NR1H2 (0.52) NR1H2ROCK1KDRBRD4MAP2K1
SCHEMBL1730410 0.67 NR1H2 (0.73) NR1H2KDRMAPK14MAP2K1
SCHEMBL5606212 0.66 NR1H2 (0.46) NR1H2ROCK1
SCHEMBL1683503 0.66 NR1H2 (0.49) NR1H2ROCK1KDRTLR8TLR7

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1543009-A4 PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2007-08-08 EP disclosed
US-20050234060-A1 Pyrrolotriazine kinase inhibitors BHIDE RAJEEV S 2005-10-20 US disclosed
US-6951859-B2 Pyrrolotriazine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2005-10-04 US disclosed
EP-1543009-A1 PYRROLOTRIAZINE KINASE INHIBITORS Bristol-Myers Squibb Company (US) 2005-06-22 EP disclosed
US-20040063708-A1 Pyrrolotriazine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-04-01 US disclosed
WO-2004013145-A1 PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-02-12 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-20040063708-A1 Pyrrolotriazine kinase inhibitors FGFR1, FLT1, FGFR2 NR1H2 2346/4885ROCK1 548/4885KDR 7/4885
US-20050234060-A1 Pyrrolotriazine kinase inhibitors FGFR1, FLT1, FGFR2 NR1H2 2146/4885ROCK1 546/4885KDR 7/4885

“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.