SCHEMBL1728802

SCHEMBL1728802

CC(=O)Nc1cn2ncnc(Nc3ccc4c(cnn4Cc4cccc(F)c4)c3)c2c1C

nearest known ligand 0.69

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EGFR P00533 20/20 0.69
ERBB2 P04626 19/20 0.69
CYP3A4 P08684 1/20 0.69
CYP2C9 P11712 1/20 0.69
CYP2C19 P33261 1/20 0.69
KCNH2 Q12809 1/20 0.69
MAP2K5 Q13163 1/20 0.69
ERBB4 Q15303 1/20 0.69

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
SCHEMBL6023815 0.95 EGFR (0.69) EGFRERBB2CYP3A4CYP2C9CYP2C19
SCHEMBL1730900 0.92 EGFR (0.73) EGFRERBB2CYP3A4CYP2C9CYP2C19
SCHEMBL1729114 0.89 EGFR (0.74) EGFRERBB2CYP3A4CYP2C9CYP2C19
SCHEMBL5851753 0.88 EGFR (0.71) EGFRERBB2CYP3A4CYP2C9CYP2C19
SCHEMBL1728586 0.87 EGFR (0.70) EGFRERBB2CYP3A4CYP2C9CYP2C19
SCHEMBL466210 0.87 EGFR (0.73) EGFRERBB2
SCHEMBL1730933 0.86 EGFR (0.73) EGFRERBB2CYP3A4CYP2C9CYP2C19
SCHEMBL1730383 0.86 EGFR (0.72) EGFRERBB2CYP3A4CYP2C9CYP2C19
SCHEMBL1728805 0.86 EGFR (0.68) EGFRERBB2CYP3A4CYP2C9CYP2C19
SCHEMBL6023125 0.86 EGFR (0.74) EGFRERBB2

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 4 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 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
US-6916815-B2 C-6 modified indazolylpyrrolotriazines BRISTOL-MYERS SQUIBB COMPANY (US) 2005-07-12 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 (1 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 1/4885CYP3A4 1464/4885

“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.