SCHEMBL11949596

SCHEMBL11949596

CC(C)(C)c1ccc2c(cnn2Cc2cccc(F)c2)c1

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EGFR P00533 16/20 0.50
ERBB2 P04626 16/20 0.50
EPHX2 P34913 2/20 0.50
PPARG P37231 2/20 0.50
GRIN1 Q05586 1/20 0.49
GRIN2B Q13224 1/20 0.49
RECQL P46063 1/20 0.43

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
SCHEMBL11949590 0.86 NPSR1 (0.47) EGFRERBB2EPHX2PPARGGRIN1
SCHEMBL11949602 0.83 EGFR (0.58) EGFRERBB2EPHX2PPARGGRIN1
SCHEMBL13946647 0.82 EGFR (0.52) EGFRERBB2EPHX2PPARGGRIN1
SCHEMBL17263515 0.81 EGFR (0.45) EGFRERBB2EPHX2PPARGGRIN1
SCHEMBL14093248 0.81 GABRA1 (0.52) EGFRERBB2GRIN1GRIN2BRECQL
SCHEMBL215702 0.81 EGFR (0.53) EGFRERBB2EPHX2PPARGRECQL
SCHEMBL21057948 0.81 EGFR (0.53) EGFRERBB2EPHX2PPARGGRIN1
SCHEMBL21058074 0.81 EGFR (0.50) EGFRERBB2EPHX2PPARGGRIN1
SCHEMBL30729935 0.81 EGFR (0.53) EGFRERBB2EPHX2PPARGRECQL
SCHEMBL5665244 0.81 EGFR (0.50) EGFRERBB2EPHX2PPARGGRIN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180093975-A1 ALKYNE SUBSTITUTED QUINAZOLINE COMPOUND AND METHODS OF USE NEWGEN THERAPEUTICS, INC. 2018-04-05 US disclosed
US-20160031860-A1 ALKYNE SUBSTITUTED QUINAZOLINE COMPOUND AND METHODS OF USE NEWGEN THERAPEUTICS INC (US) 2016-02-04 US disclosed
US-20160031860-A1 ALKYNE SUBSTITUTED QUINAZOLINE COMPOUND AND METHODS OF USE NEWGEN THERAPEUTICS INC (US) 2016-02-04 US disclosed
US-9187459-B2 Quinazoline-7-ether compounds and methods of use NEWGEN THERAPEUTICS, INC. (US) 2015-11-17 US disclosed
US-9187459-B2 Quinazoline-7-ether compounds and methods of use NEWGEN THERAPEUTICS, INC. (US) 2015-11-17 US disclosed
US-9090588-B2 Alkyne substituted quinazoline compound and methods of use NEWGEN THERAPEUTICS, INC. (US) 2015-07-28 US disclosed
US-9090588-B2 Alkyne substituted quinazoline compound and methods of use NEWGEN THERAPEUTICS, INC. (US) 2015-07-28 US disclosed
US-8987284-B2 Phosphorus containing quinazoline compounds and methods of use NEWGEN THERAPEUTICS, INC. (US) 2015-03-24 US disclosed
US-20140221406-A1 QUINAZOLINE-7-ETHER COMPOUNDS AND METHODS OF USE NEWGEN THERAPEUTICS, INC. (US) 2014-08-07 US disclosed
US-20140221406-A1 QUINAZOLINE-7-ETHER COMPOUNDS AND METHODS OF USE NEWGEN THERAPEUTICS, INC. (US) 2014-08-07 US disclosed
US-20140128417-A1 ALKYNE SUBSTITUTED QUINAZOLINE COMPOUND AND METHODS OF USE NEWGEN THERAPEUTICS, INC. (US) 2014-05-08 US disclosed
US-20140128417-A1 ALKYNE SUBSTITUTED QUINAZOLINE COMPOUND AND METHODS OF USE NEWGEN THERAPEUTICS, INC. (US) 2014-05-08 US disclosed
US-20120196833-A1 PHOSPHORUS CONTAINING QUINAZOLINE COMPOUNDS AND METHODS OF USE NEWGEN THERAPEUTICS, INC. 2012-08-02 US disclosed
US-7488823-B2 Cyanoguanidines and cyanoamidines as ErbB2 and EGFR inhibitors ARRAY BIOPHARMA, INC. (US) 2009-02-10 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 (5 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-20140128417-A1 ALKYNE SUBSTITUTED QUINAZOLINE COMPOUND AND METHODS OF USE ERBB2, ERBB4, ERBB3 EGFR 5/4885ERBB2 1/4885EPHX2 2602/4885
US-20160031860-A1 ALKYNE SUBSTITUTED QUINAZOLINE COMPOUND AND METHODS OF USE ERBB2, ERBB4, ERBB3 EGFR 5/4885ERBB2 1/4885EPHX2 2602/4885
US-20140221406-A1 QUINAZOLINE-7-ETHER COMPOUNDS AND METHODS OF USE ABL1, ERBB4, ERBB2 EGFR 5/4885ERBB2 3/4885EPHX2 2114/4885
US-20180093975-A1 ALKYNE SUBSTITUTED QUINAZOLINE COMPOUND AND METHODS OF USE ERBB2, ERBB4, ERBB3 EGFR 5/4885ERBB2 1/4885EPHX2 2602/4885
US-20120196833-A1 PHOSPHORUS CONTAINING QUINAZOLINE COMPOUNDS AND METHODS OF USE PPIP5K2, PIK3CA, PHKA1 EGFR 718/4885ERBB2 446/4885EPHX2 4585/4885

“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.