SCHEMBL1730673

SCHEMBL1730673

CCc1c(C(=O)OC)cn2ncnc(Cl)c12

nearest known ligand 0.50

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
EGFR P00533 7/20 0.50
ERBB2 P04626 7/20 0.50
KDR P35968 9/20 0.47
MAPK14 Q16539 4/20 0.40

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
SCHEMBL16646779 0.88 KDR (0.42) EGFRERBB2KDRMAPK14
SCHEMBL4046095 0.88 EGFR (0.60) EGFRERBB2KDRMAPK14
SCHEMBL16646780 0.87 KDR (0.41) EGFRERBB2KDRMAPK14
SCHEMBL1228138 0.82 KDR (0.55) KDRMAPK14
SCHEMBL1683423 0.79 KDR (0.53) EGFRERBB2KDR
SCHEMBL16645852 0.75 KDR (0.42) EGFRERBB2KDRMAPK14
SCHEMBL1226304 0.75 MAP2K1 (0.54) EGFRERBB2KDRMAPK14
SCHEMBL4046229 0.74 KDR (0.48) EGFRERBB2KDRMAPK14
SCHEMBL1730732 0.74 NR1H2 (0.55) EGFRERBB2KDRMAPK14
SCHEMBL4051995 0.73 EGFR (0.58) EGFRERBB2KDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160243125-A1 PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-08-25 US disclosed
EP-1569937-B1 C-6 MODIFIED INDAZOLYLPYRROLOTRIAZINES BRISTOL MYERS SQUIBB CO (US) 2011-11-23 EP disclosed
EP-1569937-A4 C-6 MODIFIED INDAZOLYLPYRROLOTRIAZINES BRISTOL MYERS SQUIBB CO (US) 2007-08-08 EP disclosed
US-7148220-B2 C-6 modified indazolylpyrrolotriazines BRISTOL-MYERS SQUIBB COMPANY (US) 2006-12-12 US disclosed
US-20050222153-A1 C-6 modified indazolylpyrrolotriazines VITE GREGORY D 2005-10-06 US disclosed
EP-1569937-A2 C-6 MODIFIED INDAZOLYLPYRROLOTRIAZINES Bristol-Myers Squibb Company (US) 2005-09-07 EP disclosed
US-6916815-B2 C-6 modified indazolylpyrrolotriazines BRISTOL-MYERS SQUIBB COMPANY (US) 2005-07-12 US disclosed
US-20040142931-A1 C-6 modified indazolylpyrrolotriazines BRISTOL-MYERS SQUIBB COMPANY 2004-07-22 US disclosed
WO-2004054514-A2 C-6 MODIFIED INDAZOLYLPYRROLOTRIAZINES BRISTOL-MYERS SQUIBB COMPANY (US) 2004-07-01 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 (3 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-20050222153-A1 C-6 modified indazolylpyrrolotriazines ERBB2, ERBB4, EGFR EGFR 3/4885ERBB2 1/4885KDR 224/4885
US-20160243125-A1 PYRROLOTRIAZINE KINASE INHIBITORS AAK1, DAPK2, DAPK1 EGFR 2422/4885ERBB2 373/4885KDR 1962/4885
US-20040142931-A1 C-6 modified indazolylpyrrolotriazines ERBB2, ERBB4, EGFR EGFR 3/4885ERBB2 1/4885KDR 190/4885

“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.