SCHEMBL15701532

SCHEMBL15701532

Cc1cc(C(C)(C)C)ccc1OCc1cccc(F)c1

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 3/20 0.64
MAOB P27338 6/20 0.48
KDM4E B2RXH2 1/20 0.48
SLC6A4 P31645 1/20 0.46
FFAR4 Q5NUL3 1/20 0.46
HTR6 P50406 2/20 0.45
IDO1 P14902 1/20 0.45
AGXT P21549 1/20 0.45
CA12 O43570 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
MAPT P10636 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
LMNA P02545 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL11949595 0.86 MRGPRX4 (0.57) MRGPRX4CYP2C19
SCHEMBL15701557 0.85 MRGPRX4 (0.67) MRGPRX4MAOBKDM4EFFAR4HTR6
SCHEMBL12524900 0.84 MRGPRX4 (0.62) MRGPRX4MAOBKDM4EFFAR4HTR6
SCHEMBL12295554 0.83 MRGPRX4 (0.68) MRGPRX4KDM4EFFAR4MAPTL3MBTL1
SCHEMBL15701549 0.83 EGFR (0.47) MRGPRX4MAOBSLC6A4IDO1AGXT
SCHEMBL2558750 0.82 MRGPRX4 (0.64) MRGPRX4KDM4EFFAR4
SCHEMBL1406384 0.81 MAOB (0.61) MRGPRX4MAOBHTR6IDO1AGXT
SCHEMBL12261786 0.81 MAOB (0.65) MAOB
SCHEMBL9946102 0.81 MRGPRX4 (0.62) MRGPRX4KDM4EFFAR4
SCHEMBL12301124 0.80 MRGPRX4 (0.58) MRGPRX4MAOBKDM4EHTR6IDO1

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 12 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-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-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 MRGPRX4 2689/4885MAOB 2081/4885KDM4E 1564/4885
US-20160031860-A1 ALKYNE SUBSTITUTED QUINAZOLINE COMPOUND AND METHODS OF USE ERBB2, ERBB4, ERBB3 MRGPRX4 2689/4885MAOB 2081/4885KDM4E 1564/4885
US-20140221406-A1 QUINAZOLINE-7-ETHER COMPOUNDS AND METHODS OF USE ABL1, ERBB4, ERBB2 MRGPRX4 1325/4885MAOB 3202/4885KDM4E 691/4885
US-11524956-B2 Alkyne substituted quinazoline compound and methods of use ERBB2, ERBB4, ERBB3 MRGPRX4 2689/4885MAOB 2081/4885KDM4E 1564/4885
US-20180093975-A1 ALKYNE SUBSTITUTED QUINAZOLINE COMPOUND AND METHODS OF USE ERBB2, ERBB4, ERBB3 MRGPRX4 2689/4885MAOB 2081/4885KDM4E 1564/4885
US-20210047303-A1 ALKYNE SUBSTITUTED QUINAZOLINE COMPOUND AND METHODS OF USE ERBB2, ERBB4, ERBB3 MRGPRX4 2689/4885MAOB 2081/4885KDM4E 1564/4885

“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.