SCHEMBL5606124

SCHEMBL5606124

CC(C)c1c(C#N)cn2nc[nH]c(=O)c12

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.52
ROCK1 Q13464 1/20 0.41
KDM5A P29375 18/20 0.37
KDM5B Q9UGL1 3/20 0.33
KDM5C P41229 2/20 0.33
KDM4C Q9H3R0 2/20 0.33
KDM6B O15054 1/20 0.33
KDM5D Q9BY66 1/20 0.33
PHF8 Q9UPP1 1/20 0.33

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
SCHEMBL17324743 0.75 NR1H2 (0.70) NR1H2ROCK1
SCHEMBL5606354 0.73 NR1H2 (0.64) NR1H2ROCK1KDM5B
SCHEMBL17321388 0.73 NR1H2 (0.67) NR1H2ROCK1
SCHEMBL1683479 0.71 NR1H2 (0.76) NR1H2ROCK1KDM5B
SCHEMBL1683503 0.71 NR1H2 (0.49) NR1H2ROCK1
SCHEMBL4225009 0.70 NR1H2 (0.67) NR1H2ROCK1
SCHEMBL5606212 0.69 NR1H2 (0.46) NR1H2ROCK1
SCHEMBL5596556 0.69 NR1H2 (0.46) NR1H2ROCK1KDM5B
SCHEMBL5606208 0.68 NR1H2 (0.46) NR1H2ROCK1
SCHEMBL1683444 0.68 KDR (0.50) NR1H2ROCK1

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 548/4885KDM5A 1190/4885
US-20050234060-A1 Pyrrolotriazine kinase inhibitors FGFR1, FLT1, FGFR2 NR1H2 2146/4885ROCK1 546/4885KDM5A 1362/4885

“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.