SCHEMBL642249

SCHEMBL642249

C#Cc1cccc(-c2nc(N)c3cc(N)c(OC)cc3n2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 2/20 0.46
ADORA1 P30542 1/20 0.46
WHR1 P49842 1/20 0.44
GAK O14976 3/20 0.42
EGFR P00533 3/20 0.42
MAPT P10636 3/20 0.42
ALDH1A1 P00352 2/20 0.42
FBP1 P09467 1/20 0.42
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
LMNA P02545 2/20 0.41
USP2 O75604 2/20 0.41
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2D6 P10635 2/20 0.41
CYP2C9 P11712 2/20 0.41
TSHR P16473 2/20 0.41
CYP2C19 P33261 2/20 0.41
CLK4 Q9HAZ1 1/20 0.41
TP53 P04637 2/20 0.41

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
SCHEMBL16212567 0.87 EGFR (0.46) ADORA2AADORA1GAKEGFRMAPT
SCHEMBL1979453 0.82 EGFR (0.52) ADORA2AGAKEGFRMAPTALDH1A1
SCHEMBL29493193 0.82 EGFR (0.52) ADORA2AGAKEGFRMAPTALDH1A1
SCHEMBL15877057 0.82 DHPS (0.54) ADORA2AADORA1WHR1EGFRMAPT
SCHEMBL17940130 0.81 CYP1A2 (0.47) ADORA2AADORA1WHR1GAKEGFR
Hydrochloric Acid SCHEMBL30963337 0.81 EGFR (0.52) ADORA2AGAKEGFRMAPTALDH1A1
Hydrochloric Acid SCHEMBL2839910 0.80 EGFR (0.38) ADORA2AADORA1WHR1GAKEGFR
SCHEMBL2253014 0.78 ABCG2 (0.49) ADORA2AADORA1MAPTALDH1A1KMT2A
SCHEMBL4077942 0.78 ABCG2 (0.46) ADORA2AADORA1MAPTALDH1A1KMT2A
SCHEMBL20280955 0.77 WHR1 (0.71) WHR1MAPTALDH1A1KMT2ALMNA

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 43 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107556295-B Quinazoline derivatives and process for their preparation 正大天晴药业集团股份有限公司 2020-09-04 CN disclosed
EP-3050880-B1 QUINAZOLINE DERIVATIVES FOR THE TREATMENT OF CANCER CHIA TAI TIANQING PHARMACEUTICAL GROUP CO LTD (CN) 2019-06-19 EP disclosed
CN-109694355-A The synthetic method of N- (3- alkynyl phenyl) -4,6- diamino quinazolines compounds and related intermediate 和记黄埔医药(上海)有限公司 2019-04-30 CN disclosed
CN-109694370-A The synthetic method of N- (3- alkynyl phenyl) -4,6- diamino quinazolines compounds and related intermediate 和记黄埔医药(上海)有限公司 2019-04-30 CN disclosed
CN-109694356-A The synthetic method of N- (3- alkynyl phenyl) -4,6- diamino quinazolines compounds and related intermediate 和记黄埔医药(上海)有限公司 2019-04-30 CN disclosed
US-9725439-B2 Quinazoline derivative and preparation method therefor CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2017-08-08 US disclosed
US-9556191-B2 Aminoquinazoline derivatives and their salts and methods of use thereof SUNSHINE LAKE PHARMA CO., LTD. (CN) 2017-01-31 US disclosed
EP-3050880-A1 QUINAZOLINE DERIVATIVE AND PREPARATION METHOD THEREFOR Chia Tai Tianqing Pharmaceutical Group Co.,Ltd (CN) 2016-08-03 EP disclosed
US-20160214964-A1 QUINAZOLINE DERIVATIVE AND PREPARATION METHOD THEREFOR CENTAURUS BIOPHARMA CO., LTD. (CN) 2016-07-28 US disclosed
US-9371292-B2 Quinazoline derivative, preparation method therefor, intermediate, composition and application thereof SHANGHAI PHARMACEUTICALS HOLDINGS CO., LTD. (CN) 2016-06-21 US disclosed
EP-2061773-A2 QUINAZOLINE BASED EGFR INHIBITORS CONTAINING A ZINC BINDING MOIETY Curis, Inc. (US) 2009-05-27 EP disclosed
US-20090111772-A1 FORMULATION OF QUINAZOLINE BASED EGFR INHIBITORS CONTAINING A ZINC BINDING MOIETY CURIS, INC. 2009-04-30 US disclosed
WO-2009035718-A1 TARTRATE SALTS OR COMPLEXES OF QUINAZOLINE BASED EGFR INHIBITORS CONTAINING A ZINC BINDING MOIETY CURIS, INC. (US) 2009-03-19 WO disclosed
US-20090076022-A1 epidermal growth factor receptor tyrosine kinase (EGFR-TK) and histone deacetylase inhibitors such as 2-(4-(3-Chloro-4-fluorophenylamino)-7-methoxyquinazolin-6-yloxy)-N-hydroxyacetamide, used as anticarcinogenic agents CURIS, INC. 2009-03-19 US disclosed
US-20080221132-A1 Multi-Functional Small Molecules as Anti-Proliferative Agents CURIS, INC. 2008-09-11 US disclosed
US-20080194578-A1 inhibitors of epidermal growth factor receptor tyrosine kinase and histone deacetylase; 2-(4-(3-Chloro-4-fluorophenylamino)-7-methoxyquinazolin-6-yloxy)-N-hydroxyacetamide; anticarcinogenic agent CURIS, INC. 2008-08-14 US disclosed
WO-2008033747-A9 MULTI-FUNCTIONAL SMALL MOLECULES AS ANTI-PROLIFERATIVE AGENTS CURIS INC (MA) 2008-07-24 WO disclosed
US-20080139590-A1 QUINAZOLINE BASED EGFR INHIBITORS CONTAINING A ZINC BINDING MOIETY CURIS, INC. 2008-06-12 US disclosed
WO-2008033749-A2 QUINAZOLINE BASED EGFR INHIBITORS CONTAINING A ZINC BINDING MOIETY CURIS, INC. (US) 2008-03-20 WO disclosed
WO-2008033747-A2 MULTI-FUNCTIONAL SMALL MOLECULES AS ANTI-PROLIFERATIVE AGENTS CURIS, INC. (US) 2008-03-20 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 (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-20090076022-A1 epidermal growth factor receptor tyrosine kinase (EGFR-TK) and histone deacetylase inhibitors such as 2-(4-(3-Chloro-4-fluorophenylamino)-7-methoxyquinazolin-6-yloxy)-N-hydroxyacetamide, used as anticarcinogenic agents EGFR, HDAC1, HDAC8 ADORA2A 4417/4885ADORA1 4671/4885WHR1 2803/4885
US-20080221132-A1 Multi-Functional Small Molecules as Anti-Proliferative Agents HDAC1, HDAC6, HDAC5 ADORA2A 4408/4885ADORA1 4633/4885WHR1 1555/4885
US-20080194578-A1 inhibitors of epidermal growth factor receptor tyrosine kinase and histone deacetylase; 2-(4-(3-Chloro-4-fluorophenylamino)-7-methoxyquinazolin-6-yloxy)-N-hydroxyacetamide; anticarcinogenic agent HDAC1, HDAC8, EGFR ADORA2A 4241/4885ADORA1 4733/4885WHR1 2391/4885
US-20090111772-A1 FORMULATION OF QUINAZOLINE BASED EGFR INHIBITORS CONTAINING A ZINC BINDING MOIETY HDAC6, HDAC5, HDAC1 ADORA2A 4056/4885ADORA1 4476/4885WHR1 3533/4885
US-20080139590-A1 QUINAZOLINE BASED EGFR INHIBITORS CONTAINING A ZINC BINDING MOIETY EGFR, HDAC1, HDAC6 ADORA2A 4577/4885ADORA1 4780/4885WHR1 2457/4885
US-20160214964-A1 QUINAZOLINE DERIVATIVE AND PREPARATION METHOD THEREFOR WEE1, WEE2, EGFR ADORA2A 1698/4885ADORA1 631/4885WHR1 1615/4885

“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.