SCHEMBL15701546

SCHEMBL15701546

CC(C)(C)c1ccc2c(ccn2Cc2cccc(F)c2)c1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.49
EPHX2 P34913 11/20 0.48
PPARG P37231 10/20 0.48
MAOB P27338 1/20 0.47
SLC2A1 P11166 1/20 0.46
EGFR P00533 2/20 0.46
PLAU P00749 2/20 0.45
PLG P00747 1/20 0.45
ERBB2 P04626 1/20 0.43
DBH P09172 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
SCHEMBL11949592 0.85 SLC2A1 (0.47) KCNH2SLC2A1PLAUPLGERBB2
SCHEMBL15627017 0.85 APP (0.50) KCNH2EPHX2PLAUPLGERBB2
SCHEMBL11949599 0.82 DPP4 (0.53) EPHX2PPARGMAOBSLC2A1EGFR
SCHEMBL20172385 0.81 EPHX2 (0.53) EPHX2PPARGMAOBSLC2A1EGFR
SCHEMBL3507375 0.80 EGFR (0.62) EPHX2PPARGMAOBSLC2A1EGFR
SCHEMBL6085951 0.80 EGFR (0.51) EPHX2PPARGMAOBSLC2A1EGFR
SCHEMBL1104768 0.79 HTR6 (0.55) EPHX2PPARGMAOBSLC2A1EGFR
SCHEMBL31258087 0.79 HTR6 (0.55) EPHX2PPARGMAOBSLC2A1EGFR
SCHEMBL14093199 0.78 GABRA1 (0.52) KCNH2MAOBEGFR
SCHEMBL11949596 0.77 EGFR (0.50) EPHX2PPARGEGFRERBB2

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-11524956-B2 Alkyne substituted quinazoline compound and methods of use NEWGEN THERAPEUTICS, INC. (US) 2022-12-13 US disclosed
US-20210047303-A1 ALKYNE SUBSTITUTED QUINAZOLINE COMPOUND AND METHODS OF USE KANION USA INC. 2021-02-18 US disclosed
US-20180093975-A1 ALKYNE SUBSTITUTED QUINAZOLINE COMPOUND AND METHODS OF USE NEWGEN THERAPEUTICS, INC. 2018-04-05 US disclosed
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-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

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-20140128417-A1 ALKYNE SUBSTITUTED QUINAZOLINE COMPOUND AND METHODS OF USE ERBB2, ERBB4, ERBB3 KCNH2 3268/4885EPHX2 2602/4885PPARG 1788/4885
US-20160031860-A1 ALKYNE SUBSTITUTED QUINAZOLINE COMPOUND AND METHODS OF USE ERBB2, ERBB4, ERBB3 KCNH2 3268/4885EPHX2 2602/4885PPARG 1788/4885
US-20140221406-A1 QUINAZOLINE-7-ETHER COMPOUNDS AND METHODS OF USE ABL1, ERBB4, ERBB2 KCNH2 4630/4885EPHX2 2114/4885PPARG 1622/4885
US-11524956-B2 Alkyne substituted quinazoline compound and methods of use ERBB2, ERBB4, ERBB3 KCNH2 3268/4885EPHX2 2602/4885PPARG 1788/4885
US-20180093975-A1 ALKYNE SUBSTITUTED QUINAZOLINE COMPOUND AND METHODS OF USE ERBB2, ERBB4, ERBB3 KCNH2 3268/4885EPHX2 2602/4885PPARG 1788/4885
US-20210047303-A1 ALKYNE SUBSTITUTED QUINAZOLINE COMPOUND AND METHODS OF USE ERBB2, ERBB4, ERBB3 KCNH2 3268/4885EPHX2 2602/4885PPARG 1788/4885

“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.