SCHEMBL466211

SCHEMBL466211

CCc1c(NC(=O)O)cn2ncnc(Nc3ccc4c(cnn4Cc4cscn4)c3)c12

nearest known ligand 0.65

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 20/20 0.65
EGFR P00533 17/20 0.65

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
SCHEMBL466280 0.88 EGFR (0.69) ERBB2EGFR
SCHEMBL466281 0.87 EGFR (0.66) ERBB2EGFR
SCHEMBL466189 0.87 EGFR (0.70) ERBB2EGFR
SCHEMBL466103 0.86 EGFR (0.84) ERBB2EGFR
SCHEMBL466260 0.85 ERBB2 (0.66) ERBB2EGFR
SCHEMBL466271 0.85 EGFR (0.67) ERBB2EGFR
SCHEMBL466210 0.84 EGFR (0.73) ERBB2EGFR
SCHEMBL466238 0.83 EGFR (0.74) ERBB2EGFR
SCHEMBL466230 0.83 EGFR (0.65) ERBB2EGFR
SCHEMBL6023184 0.83 ERBB2 (0.68) ERBB2EGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-2009126311-A1 RADIOSENSITIZATION OF TUMORS WITH INDAZOLPYRROLOTRIAZINES FOR RADIOTHERAPY THE UNIVERSITY OF TEXAS, M.D. ANDERSON CANCER CENTER (US) 2009-10-15 WO 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
EP-2405941-A1 COMBINATION OF AN INDAZOLYLAMINOPYRROLOTRIAZINE AND TAXANE FOR CANCER TREATMENT Ambit Biosciences Corporation (US) 2012-01-18 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
WO-2009126311-A1 RADIOSENSITIZATION OF TUMORS WITH INDAZOLPYRROLOTRIAZINES FOR RADIOTHERAPY THE UNIVERSITY OF TEXAS, M.D. ANDERSON CANCER CENTER (US) 2009-10-15 WO disclosed
US-7148220-B2 C-6 modified indazolylpyrrolotriazines BRISTOL-MYERS SQUIBB COMPANY (US) 2006-12-12 US disclosed
US-7102001-B2 Process for preparing pyrrolotriazine BRISTOL-MYERS SQUIBB COMPANY (US) 2006-09-05 US disclosed
US-20060014741-A1 Synthetic process, and crystalline forms of a pyrrolotriazine compound BRISTOL-MYERS SQUIBB COMPANY 2006-01-19 US disclosed
US-20050222153-A1 C-6 modified indazolylpyrrolotriazines VITE GREGORY D 2005-10-06 US disclosed
US-20050209454-A1 Synthetic process BRISTOL-MYERS SQUIBB COMPANY 2005-09-22 US 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 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-20050209454-A1 Synthetic process ERBB2, EGFR, ERBB4 ERBB2 1/4885EGFR 2/4885
US-20050222153-A1 C-6 modified indazolylpyrrolotriazines ERBB2, ERBB4, EGFR ERBB2 1/4885EGFR 3/4885
US-20060014741-A1 Synthetic process, and crystalline forms of a pyrrolotriazine compound ERBB2, FGFR1, ERBB4 ERBB2 1/4885EGFR 4/4885
US-20110086850-A1 RADIOSENSITIZATION OF TUMORS WITH INDAZOLPYRROLOTRIAZINES FOR RADIOTHERAPY IDH3A, TPT1, IDO1 ERBB2 4345/4885EGFR 4184/4885
US-20040209930-A1 Synergistic methods and compositions for treating cancer IGF1R, CHEK2, MCL1 ERBB2 8/4885EGFR 6/4885
US-20040142931-A1 C-6 modified indazolylpyrrolotriazines ERBB2, ERBB4, EGFR ERBB2 1/4885EGFR 3/4885

“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.