Quinazoline

Quinazoline

SCHEMBL3686138

C1CNCCN1.c1ccc2ncncc2c1

nearest known ligand 0.77

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ESR1

The experimentally established mechanism targets of Quinazoline. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 9/20 0.77
PIK3CD O00329 1/20 0.51
PIK3CA P42336 1/20 0.51
CHRNB2 P17787 1/20 0.42
CHRNA4 P43681 1/20 0.42
TDO2 P48775 2/20 0.40
ALDH1A1 P00352 2/20 0.39
CYP1A2 P05177 3/20 0.39
CYP3A4 P08684 2/20 0.39
HTR3E A5X5Y0 1/20 0.39
KDM4E B2RXH2 1/20 0.39
USP2 O75604 1/20 0.39
HTR3B O95264 1/20 0.39
ADRB1 P08588 1/20 0.39
HTR1A P08908 1/20 0.39
HTR2C P28335 1/20 0.39
MAPK1 P28482 1/20 0.39
SLC6A4 P31645 1/20 0.39
HTR7 P34969 1/20 0.39
HTT P42858 1/20 0.39

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
Quinazoline SCHEMBL16444698 1.00 EGFR (0.77) EGFRPIK3CDPIK3CACHRNB2CHRNA4
Quinazoline SCHEMBL29144630 0.93 EGFR (0.71) EGFRPIK3CDPIK3CACHRNB2CHRNA4
Quinazoline SCHEMBL27875528 0.92 EGFR (0.77) EGFRPIK3CDPIK3CACHRNB2CHRNA4
Quinazoline SCHEMBL6569237 0.91 EGFR (0.69) EGFRPIK3CDPIK3CACHRNB2CHRNA4
Quinazoline SCHEMBL3718090 0.88 EGFR (0.65) EGFRPIK3CDPIK3CACHRNB2CHRNA4
Quinazoline SCHEMBL29356169 0.88 EGFR (1.00) EGFRPIK3CDPIK3CATDO2ALDH1A1
Quinazoline SCHEMBL29490398 0.88 EGFR (1.00) EGFRPIK3CDPIK3CATDO2ALDH1A1
Quinazoline SCHEMBL22833783 0.88 EGFR (1.00) EGFRPIK3CDPIK3CATDO2ALDH1A1
Quinazoline SCHEMBL5920 0.88 EGFR (1.00) EGFRPIK3CDPIK3CATDO2ALDH1A1
Quinazoline SCHEMBL5579413 0.86 EGFR (0.95) EGFRPIK3CDPIK3CATDO2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102942529-B 4-(4-substituted piperazine)-5,6,7-trialkoxy quinazoline type compound as well as preparation method and application of 4-(4-substituted piperazine)-5,6,7-trialkoxy quinazoline type compound UNIV GUIZHOU 2015-06-24 CN claimed
CN-102942529-A 4-(4-substituted piperazine)-5,6,7-trialkoxy quinazoline type compound as well as preparation method and application of 4-(4-substituted piperazine)-5,6,7-trialkoxy quinazoline type compound UNIV GUIZHOU 2013-02-27 CN claimed
US-20080318963-A1 1-[6,7-Substituted Alkoxyquinoxalinyl) Aminocarbonyl]-4-(Hetero) Arylpiperazine Derivatives REXAHN PHARMACEUTICALS, INC. (US) 2008-12-25 US claimed
EP-1819698-A1 1-[(6,7-SUBSTITUTED ALKOXYQUINOXALINYL)AMINOCARBONYL]-4-(HETERO)ARYLPIPERAZINE DERIVATIVES Rexahn Pharmaceuticals, Inc. (US) 2007-08-22 EP claimed
WO-2006054830-A1 1-[(6,7-SUBSTITUTED ALKOXYQUINOXALINYL)AMINOCARBONYL]-4-(HETERO)ARYLPIPERAZINE DERIVATIVES REXAHN PHARMACEUTICALS, INC. (US) 2006-05-26 WO claimed
US-RE49897-E1 Salts of a dihydroquinazoline derivative AIC246 AG & CO. KG (DE) 2024-04-02 US disclosed
CN-116570598-A Application of phenylpiperazine quinazoline compounds in preparation of P-gp inhibitor drugs 暨南大学 2023-08-11 CN disclosed
CN-113754595-A Preparation method and application of 6-fluoroquinazoline derivatives containing disulfide structures 贵州大学 2021-12-07 CN disclosed
US-10968214-B2 KRas G12C inhibitors ELI LILLY AND COMPANY (US) 2021-04-06 US disclosed
WO-2020081282-A1 KRAS G12C INHIBITORS ELI LILLY AND COMPANY (US) 2020-04-23 WO disclosed
US-20200115375-A1 KRAS G12C INHIBITORS ELI LILLY AND COMPANY 2020-04-16 US disclosed
US-10287254-B2 Salts of a dihydroquinazoline derivative AICURIS GMBH & CO. KG (DE) 2019-05-14 US disclosed
CN-1186322-C Proline derivatives and use thereof as drugs MITSUBISHI PHARMACEUTICAL CO L (JP) 2005-01-26 CN disclosed
EP-0892790-B1 NEW QUINAZOLINE-4-AMINO-2-(PIPERIDINE-1-YL-4-SUBSTITUTED) DERIVATIVES HAVING ANTI-HYPERTENSIVE ACTIVITY, A METHOD FOR THEIR PREPARATION AND THEIR PHARMACEUTICAL USE ROTTA RESEARCH LAB (IT) 2004-04-14 EP disclosed
CN-1441779-A Proline derivatives and use thereof as drugs MITSUBISHI PHARMACEUTICAL CO L (JP) 2003-09-10 CN disclosed
US-5985885-A USEFUL IN THE TREATMENT OF HYPERTENSION, CONGESTIVE HEART FAILURE, PROSTATE HYPERTROPHY, VARIOUS URINARY TRACT DISORDERS AND PATHOLOGICAL SYMPTOMS CAUSED BY HYPERACTIVITY OR DISFUNCTIONING OF THE NORADRENERGIC NEURAL SYSTEM ROTTA RESEARCH LABORATORIUM S.P.A. (IT) 1999-11-16 US disclosed
CN-1043141-C Heterocyclic amines useful in the therapy of the asthma and of the inflammation of the respiratory tract BOEHRINGER MANNHEIM ITALIA (IT) 1999-04-28 CN disclosed
EP-0892790-A1 NEW QUINAZOLINE-4-AMINO-2-(PIPERIDINE-1-YL-4-SUBSTITUTED) DERIVATIVES HAVING ANTI-HYPERTENSIVE ACTIVITY, A METHOD FOR THEIR PREPARATION AND THEIR PHARMACEUTICAL USE ROTTA RESEARCH LABORATORIUM S.P.A. (IT) 1999-01-27 EP disclosed
WO-1997037979-A1 NEW QUINAZOLINE-4-AMINO-2-(PIPERIDINE-1-YL-4-SUBSTITUTED) DERIVATIVES HAVING ANTI-HYPERTENSIVE ACTIVITY, A METHOD FOR THEIR PREPARATION AND THEIR PHARMACEUTICAL USE ROTTA RESEARCH LABORATORIUM S.P.A. (IT) 1997-10-16 WO disclosed
CN-1088580-A The heterocyclic amine that is used for the treatment of respiratory tract asthma and inflammation BOEHRINGER MANNHEIM ITALIA (IT) 1994-06-29 CN 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 (4 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-20080318963-A1 1-[6,7-Substituted Alkoxyquinoxalinyl) Aminocarbonyl]-4-(Hetero) Arylpiperazine Derivatives HRAS, CDK4, KRAS EGFR 1556/4885PIK3CD 812/4885PIK3CA 403/4885
US-20200115375-A1 KRAS G12C INHIBITORS KRAS, NRAS, HRAS EGFR 57/4885PIK3CD 379/4885PIK3CA 100/4885
US-10968214-B2 KRas G12C inhibitors KRAS, NRAS, HRAS EGFR 57/4885PIK3CD 379/4885PIK3CA 100/4885
US-10287254-B2 Salts of a dihydroquinazoline derivative BAD, IRF3, VHL EGFR 4009/4885PIK3CD 3176/4885PIK3CA 2184/4885

“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.