SCHEMBL5606311

SCHEMBL5606311

CC(C)c1c(C(=O)O)cn2ncnc(O)c12

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KDR P35968 17/20 0.42
NR1H2 P55055 1/20 0.39
EGFR P00533 1/20 0.35
ERBB2 P04626 1/20 0.35
FGFR1 P11362 1/20 0.34

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
SCHEMBL4815952 0.80 KDR (0.42) KDRFGFR1
SCHEMBL7528805 0.77 FGFR1 (0.41) KDREGFRERBB2FGFR1
SCHEMBL5606315 0.74 KDR (0.45) KDREGFRERBB2FGFR1
SCHEMBL27888151 0.73 KDR (0.78) KDREGFR
SCHEMBL4817943 0.72 NR1H2 (0.69) KDRNR1H2
SCHEMBL7463277 0.72 KDR (0.42) KDREGFRERBB2
SCHEMBL12537191 0.72 NTRK1 (0.42) KDR
SCHEMBL1683423 0.70 KDR (0.53) KDRNR1H2EGFRERBB2
SCHEMBL27634063 0.67 KDR (0.39) KDRFGFR1
SCHEMBL25722779 0.66 KDR (0.35) KDRFGFR1

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 KDR 7/4885NR1H2 2346/4885EGFR 80/4885
US-20050234060-A1 Pyrrolotriazine kinase inhibitors FGFR1, FLT1, FGFR2 KDR 7/4885NR1H2 2146/4885EGFR 73/4885

“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.