SCHEMBL7280796

SCHEMBL7280796

c1ccc(Nc2nc(-c3cccnc3)nc3ccccc23)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 1.00
CYP3A4 P08684 3/20 1.00
TSHR P16473 2/20 1.00
CLK4 Q9HAZ1 2/20 1.00
ALDH1A1 P00352 2/20 1.00
USP2 O75604 1/20 1.00
LMNA P02545 1/20 1.00
MAPT P10636 2/20 0.87
MAPK1 P28482 2/20 0.87
CYP2C19 P33261 2/20 0.87
HSD17B10 Q99714 2/20 0.87
KDM4E B2RXH2 2/20 0.87
HPGD P15428 2/20 0.87
TDP1 Q9NUW8 1/20 0.87
PDE5A O76074 4/20 0.84
HTT P42858 1/20 0.83
ABCG2 Q9UNQ0 9/20 0.79
KDM1A O60341 1/20 0.77
MEN1 O00255 1/20 0.75
KMT2A Q03164 1/20 0.75

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
SCHEMBL1062324 0.91 PDE5A (1.00) CYP1A2CYP3A4TSHRCLK4ALDH1A1
SCHEMBL1063103 0.86 ABCG2 (1.00) CYP1A2CYP3A4TSHRCLK4ALDH1A1
SCHEMBL15986596 0.86 CYP1A2 (0.78) CYP1A2CYP3A4TSHRCLK4ALDH1A1
Hydrochloric Acid SCHEMBL15966650 0.85 CYP1A2 (0.76) CYP1A2CYP3A4TSHRCLK4ALDH1A1
SCHEMBL1083757 0.85 MAPT (0.80) CYP1A2CYP3A4TSHRCLK4ALDH1A1
SCHEMBL12316882 0.85 ABCG2 (0.81) CYP1A2CYP3A4TSHRCLK4ALDH1A1
SCHEMBL14727344 0.84 CYP1A2 (0.73) CYP1A2CYP3A4TSHRCLK4ALDH1A1
SCHEMBL20273653 0.84 CYP1A2 (1.00) CYP1A2CYP3A4TSHRCLK4ALDH1A1
SCHEMBL15977152 0.84 CYP1A2 (0.75) CYP1A2CYP3A4TSHRCLK4ALDH1A1
Hydrochloric Acid SCHEMBL15966687 0.84 ABCG2 (0.79) CYP1A2CYP3A4TSHRCLK4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0579496-B1 4-Aminoquinazoline derivatives, and their use as medicine ONO PHARMACEUTICAL CO (JP) 2001-11-14 EP claimed
EP-0579496-A1 4-Aminoquinazoline derivatives, and their use as medicine ONO PHARMACEUTICAL CO., LTD. (JP) 1994-01-19 EP claimed
US-10934270-B2 Substituted quinazoline compounds and uses thereof for modulating glucocerebrosidase activity NORTHWESTERN UNIVERSITY (US) 2021-03-02 US disclosed
US-20200071292-A1 SUBSTITUTED QUINAZOLINE COMPOUNDS AND USES THEREOF FOR MODULATING GLUCOCEREBROSIDASE ACTIVITY NORTHWESTERN UNIVERSITY (US) 2020-03-05 US disclosed
US-10167270-B2 Substituted quinazoline compounds and uses thereof for modulating glucocerebrosidase activity NORTHWESTERN UNIVERSITY (US) 2019-01-01 US disclosed
US-20170217923-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2017-08-03 US disclosed
US-9630947-B2 Therapeutic compounds and related methods of use OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2017-04-25 US disclosed
US-20170001976-A1 SUBSTITUTED QUINAZOLINE COMPOUNDS AND USES THEREOF FOR MODULATING GLUCOCEREBROSIDASE ACTIVITY NORTHWESTERN UNIVERSITY (US) 2017-01-05 US disclosed
US-20170001976-A1 SUBSTITUTED QUINAZOLINE COMPOUNDS AND USES THEREOF FOR MODULATING GLUCOCEREBROSIDASE ACTIVITY NORTHWESTERN UNIVERSITY (US) 2017-01-05 US disclosed
EP-2521549-B1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE OTSUKA PHARMA CO LTD (JP) 2016-08-17 EP disclosed
US-20150307477-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE GALENEA CORPORATION 2015-10-29 US disclosed
US-9073890-B2 Therapeutic compounds and related methods of use OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2015-07-07 US disclosed
US-20130053341-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE OTSUKA PHARMACEUTICAL COMPANY (JP) 2013-02-28 US disclosed
US-20020025968-A1 Method for inhibiting neoplastic cells and related conditions by exposure to 4-aminoquinazoline derivatives OSI PHARMACEUTICALS, INC. 2002-02-28 US disclosed
EP-0579496-B1 4-Aminoquinazoline derivatives, and their use as medicine ONO PHARMACEUTICAL CO (JP) 2001-11-14 EP disclosed
US-5439895-A Cardiovascular disorders; inhibitor of thromboxane A2 synthetase and cyclic guanosine 3',5'-monophosphate ONO PHARMACEUTICAL CO., LTD. (JP) 1995-08-08 US disclosed
US-5436233-A Nervous system disorders ONO PHARMACEUTICAL CO., LTD. (JP) 1995-07-25 US disclosed
EP-0579496-A1 4-Aminoquinazoline derivatives, and their use as medicine ONO PHARMACEUTICAL CO., LTD. (JP) 1994-01-19 EP 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 (8 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-20150307477-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP4C, PTPRG, PPP2CA CYP1A2 4552/4885CYP3A4 4815/4885TSHR 2177/4885
US-10934270-B2 Substituted quinazoline compounds and uses thereof for modulating glucocerebrosidase activity GBA1, GAA, GBA2 CYP1A2 2508/4885CYP3A4 2684/4885TSHR 4206/4885
US-20200071292-A1 SUBSTITUTED QUINAZOLINE COMPOUNDS AND USES THEREOF FOR MODULATING GLUCOCEREBROSIDASE ACTIVITY GBA1, GAA, GBA2 CYP1A2 2508/4885CYP3A4 2684/4885TSHR 4206/4885
US-20020025968-A1 Method for inhibiting neoplastic cells and related conditions by exposure to 4-aminoquinazoline derivatives VHL, MCL1, NFATC1 CYP1A2 1452/4885CYP3A4 834/4885TSHR 4097/4885
US-20170001976-A1 SUBSTITUTED QUINAZOLINE COMPOUNDS AND USES THEREOF FOR MODULATING GLUCOCEREBROSIDASE ACTIVITY GBA1, GAA, GBA2 CYP1A2 2508/4885CYP3A4 2684/4885TSHR 4206/4885
US-10167270-B2 Substituted quinazoline compounds and uses thereof for modulating glucocerebrosidase activity GBA1, GAA, GBA2 CYP1A2 2508/4885CYP3A4 2684/4885TSHR 4206/4885
US-20130053341-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP4C, PPP3CB, PTPRG CYP1A2 4619/4885CYP3A4 4805/4885TSHR 2340/4885
US-20170217923-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP4C, PTPRG, PPP2CA CYP1A2 4552/4885CYP3A4 4815/4885TSHR 2177/4885

“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.