SCHEMBL3319494

SCHEMBL3319494

COc1cc2ncnc(Nc3ccc4c(cnn4Cc4cccc(F)c4)c3)c2cc1[N+](=O)[O-]

nearest known ligand 0.67

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 17/20 0.67
EGFR P00533 14/20 0.59
ERBB4 Q15303 2/20 0.59

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
SCHEMBL16212271 0.93 ERBB2 (0.59) ERBB2EGFRERBB4
SCHEMBL27909582 0.93 ERBB2 (0.59) ERBB2EGFRERBB4
SCHEMBL16212539 0.90 ERBB2 (0.56) ERBB2EGFRERBB4
SCHEMBL27909527 0.89 ERBB2 (0.56) ERBB2EGFRERBB4
SCHEMBL3319509 0.87 ERBB2 (0.72) ERBB2EGFRERBB4
SCHEMBL16213110 0.84 ERBB2 (0.61) ERBB2EGFRERBB4
SCHEMBL3378119 0.82 ERBB2 (0.77) ERBB2EGFR
SCHEMBL16212269 0.82 ERBB2 (0.63) ERBB2EGFRERBB4
SCHEMBL15085014 0.81 ERBB2 (0.72) ERBB2EGFRERBB4
SCHEMBL8555349 0.81 ERBB2 (1.00) ERBB2EGFRERBB4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9556191-B2 Aminoquinazoline derivatives and their salts and methods of use thereof SUNSHINE LAKE PHARMA CO., LTD. (CN) 2017-01-31 US disclosed
US-20160039838-A1 AMINOQUINAZOLINE DERIVATIVES AND THEIR SALTS AND METHODS OF USE THEREOF SUNSHINE LAKE PHARMA CO., LTD. (CN) 2016-02-11 US disclosed
US-9168253-B2 Quinazoline compounds HUTCHISON MEDIPHARMA LIMITED (CN) 2015-10-27 US disclosed
US-9168253-B2 Quinazoline compounds HUTCHISON MEDIPHARMA LIMITED (CN) 2015-10-27 US disclosed
WO-2014177038-A1 AMINOQUINAZOLINE DERIVATIVES AND THEIR SALTS AND METHODS OF USE THEREOF SUNSHINE LAKE PHARMA CO., LTD. (CN) 2014-11-06 WO disclosed
US-20130172373-A1 QUINAZOLINE COMPOUNDS HUTCHISON MEDIPHARMA LIMITED (CN) 2013-07-04 US disclosed
US-20130172373-A1 QUINAZOLINE COMPOUNDS HUTCHISON MEDIPHARMA LIMITED (CN) 2013-07-04 US disclosed
WO-2012000356-A1 QUINAZOLINE COMPOUNDS HUTCHISON MEDIPHARMA LIMITED (CN) 2012-01-05 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-20130172373-A1 QUINAZOLINE COMPOUNDS EGFR, ABL1, ERBB2 ERBB2 3/4885EGFR 1/4885ERBB4 4/4885
US-20160039838-A1 AMINOQUINAZOLINE DERIVATIVES AND THEIR SALTS AND METHODS OF USE THEREOF WNK1, ABL1, NEK4 ERBB2 368/4885EGFR 1223/4885ERBB4 569/4885

“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.