SCHEMBL466103

SCHEMBL466103

CCc1c(NC(=O)O)cn2ncnc(Nc3ccc4c(cnn4Cc4ccccc4)c3)c12

nearest known ligand 0.84

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
EGFR P00533 20/20 0.84
ERBB2 P04626 20/20 0.84
ERBB4 Q15303 1/20 0.56

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
SCHEMBL466238 0.93 EGFR (0.74) EGFRERBB2
SCHEMBL466210 0.92 EGFR (0.73) EGFRERBB2
SCHEMBL1728685 0.92 EGFR (1.00) EGFRERBB2ERBB4
SCHEMBL466189 0.90 EGFR (0.70) EGFRERBB2ERBB4
SCHEMBL466280 0.90 EGFR (0.69) EGFRERBB2
SCHEMBL1730936 0.89 EGFR (0.82) EGFRERBB2
SCHEMBL1730679 0.89 EGFR (1.00) EGFRERBB2
SCHEMBL1730279 0.89 EGFR (0.81) EGFRERBB2
SCHEMBL6527950 0.88 EGFR (0.83) EGFRERBB2ERBB4
SCHEMBL1730909 0.88 EGFR (0.83) EGFRERBB2ERBB4

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2405941-A1 COMBINATION OF AN INDAZOLYLAMINOPYRROLOTRIAZINE AND TAXANE FOR CANCER TREATMENT Ambit Biosciences Corporation (US) 2012-01-18 EP claimed
EP-1569937-B1 C-6 MODIFIED INDAZOLYLPYRROLOTRIAZINES BRISTOL MYERS SQUIBB CO (US) 2011-11-23 EP claimed
US-20110086850-A1 RADIOSENSITIZATION OF TUMORS WITH INDAZOLPYRROLOTRIAZINES FOR RADIOTHERAPY BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2011-04-14 US claimed
WO-2010105016-A1 COMBINATION OF AN INDAZOLYLAMINOPYRROLOTRIAZINE AND TAXANE FOR CANCER TREATMENT AMBIT BIOSCIENCES CORP. (US) 2010-09-16 WO claimed
WO-2009126311-A1 RADIOSENSITIZATION OF TUMORS WITH INDAZOLPYRROLOTRIAZINES FOR RADIOTHERAPY THE UNIVERSITY OF TEXAS, M.D. ANDERSON CANCER CENTER (US) 2009-10-15 WO claimed
EP-1569937-A4 C-6 MODIFIED INDAZOLYLPYRROLOTRIAZINES BRISTOL MYERS SQUIBB CO (US) 2007-08-08 EP claimed
EP-1569937-A2 C-6 MODIFIED INDAZOLYLPYRROLOTRIAZINES Bristol-Myers Squibb Company (US) 2005-09-07 EP claimed
US-6916815-B2 C-6 modified indazolylpyrrolotriazines BRISTOL-MYERS SQUIBB COMPANY (US) 2005-07-12 US claimed
US-20040142931-A1 C-6 modified indazolylpyrrolotriazines BRISTOL-MYERS SQUIBB COMPANY 2004-07-22 US claimed
WO-2004054514-A2 C-6 MODIFIED INDAZOLYLPYRROLOTRIAZINES BRISTOL-MYERS SQUIBB COMPANY (US) 2004-07-01 WO claimed
EP-2405941-A1 COMBINATION OF AN INDAZOLYLAMINOPYRROLOTRIAZINE AND TAXANE FOR CANCER TREATMENT Ambit Biosciences Corporation (US) 2012-01-18 EP disclosed
EP-1391451-B1 2-IMINOPYRROLIDINE DERIVATES EISAI R&D MAN CO LTD (JP) 2011-11-23 EP disclosed
EP-1569937-B1 C-6 MODIFIED INDAZOLYLPYRROLOTRIAZINES BRISTOL MYERS SQUIBB CO (US) 2011-11-23 EP disclosed
US-20110086850-A1 RADIOSENSITIZATION OF TUMORS WITH INDAZOLPYRROLOTRIAZINES FOR RADIOTHERAPY BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2011-04-14 US disclosed
WO-2010105016-A1 COMBINATION OF AN INDAZOLYLAMINOPYRROLOTRIAZINE AND TAXANE FOR CANCER TREATMENT AMBIT BIOSCIENCES CORP. (US) 2010-09-16 WO 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-20040209930-A1 Synergistic methods and compositions for treating cancer BRISTOL-MYERS SQUIBB COMPANY 2004-10-21 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-20110086850-A1 RADIOSENSITIZATION OF TUMORS WITH INDAZOLPYRROLOTRIAZINES FOR RADIOTHERAPY IDH3A, TPT1, IDO1 EGFR 4184/4885ERBB2 4345/4885ERBB4 4731/4885
US-20040209930-A1 Synergistic methods and compositions for treating cancer IGF1R, CHEK2, MCL1 EGFR 6/4885ERBB2 8/4885ERBB4 77/4885
US-20040142931-A1 C-6 modified indazolylpyrrolotriazines ERBB2, ERBB4, EGFR EGFR 3/4885ERBB2 1/4885ERBB4 2/4885

“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.