Sugi Predict

Sugi Predict / Compounds / SCHEMBL642350

SCHEMBL642350

SCHEMBL642350

COCCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1[N+](=O)[O-]

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 17/20 0.64
▸ ERBB2 P04626 3/20 0.64
▸ HDAC3 O15379 3/20 0.64
▸ HDAC4 P56524 3/20 0.64
▸ HDAC1 Q13547 3/20 0.64
▸ HDAC7 Q8WUI4 3/20 0.64
▸ HDAC2 Q92769 3/20 0.64
▸ HDAC10 Q969S8 3/20 0.64
▸ HDAC11 Q96DB2 3/20 0.64
▸ HDAC8 Q9BY41 3/20 0.64
▸ HDAC6 Q9UBN7 3/20 0.64
▸ HDAC9 Q9UKV0 3/20 0.64
▸ HDAC5 Q9UQL6 3/20 0.64
▸ AURKA O14965 1/20 0.63
▸ INSR P06213 1/20 0.63
▸ FBP1 P09467 1/20 0.63
▸ PDGFRB P09619 1/20 0.63
▸ FLT4 P35916 1/20 0.63
▸ KDR P35968 1/20 0.63
▸ CLK1 P49759 1/20 0.63

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
SCHEMBL17538495 0.95 EGFR (0.63) EGFRERBB2HDAC3HDAC4HDAC1
SCHEMBL19293607 0.93 FBP1 (0.66) EGFRERBB2AURKAINSRFBP1
SCHEMBL17538553 0.91 EGFR (0.64) EGFRERBB2AURKAINSRFBP1
SCHEMBL17538564 0.91 EGFR (0.64) EGFRERBB2AURKAINSRFBP1
SCHEMBL26082 0.91 EGFR (0.61) EGFRERBB2HDAC3HDAC4HDAC1
SCHEMBL15928079 0.91 FBP1 (0.60) EGFRERBB2AURKAINSRFBP1
SCHEMBL15928220 0.91 EGFR (0.61) EGFRERBB2AURKAINSRFBP1
SCHEMBL4576907 0.91 FBP1 (0.60) EGFRERBB2AURKAINSRFBP1
SCHEMBL17538541 0.90 EGFR (0.61) EGFRERBB2AURKAINSRFBP1
SCHEMBL6987785 0.90 EGFR (0.70) EGFRERBB2HDAC3HDAC4HDAC1

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 50 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
EP-2479174-B1 6-AMINO QUINAZOLINE OR 3-CYANO QUINOLINE DERIVATIVES, PREPARATION METHODS AND PHARMACEUTICAL USES THEREOF JIANGSU HENGRUI MEDICINE CO (CN) 2017-10-18 — — EP disclosed
EP-2479174-B1 6-AMINO QUINAZOLINE OR 3-CYANO QUINOLINE DERIVATIVES, PREPARATION METHODS AND PHARMACEUTICAL USES THEREOF JIANGSU HENGRUI MEDICINE CO (CN) 2017-10-18 — — EP 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-9358227-B2 Pharmaceutical uses of 6-amino quinazoline or 3-cyano quinoline derivatives JIANGSU HENGRUI MEDICINE CO., LTD. (CN) 2016-06-07 — — US disclosed
US-9358227-B2 Pharmaceutical uses of 6-amino quinazoline or 3-cyano quinoline derivatives JIANGSU HENGRUI MEDICINE CO., LTD. (CN) 2016-06-07 — — US disclosed
US-20090111772-A1 FORMULATION OF QUINAZOLINE BASED EGFR INHIBITORS CONTAINING A ZINC BINDING MOIETY CURIS, INC. 2009-04-30 — — US 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
US-20080139590-A1 QUINAZOLINE BASED EGFR INHIBITORS CONTAINING A ZINC BINDING MOIETY CURIS, INC. 2008-06-12 — — US disclosed
WO-2008002039-A1 QUINAZOLINE DERIVATIVES FOR INHIBITING THE GROWTH OF CANCER CELL HANMI PHARM. CO., LTD. (KR) 2008-01-03 — — WO disclosed
US-6653305-B2 For therapy of tumoral diseases, diseases of the lungs and respiratory tract BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-11-25 — — US disclosed
EP-1315717-A1 QUINAZOLINE DERIVATIVES, MEDICAMENTS CONTAINING THESE COMPOUNDS, THEIR USE, AND METHODS FOR THE PRODUCTION THEREOF Boehringer Ingelheim Pharma KG (DE) 2003-06-04 — — EP disclosed
US-20020077330-A1 Bicyclic heterocycles, pharmaceutical compositions containing them, their use, and processes for preparing them BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2002-06-20 — — US disclosed
WO-2002018373-A1 QUINAZOLINE DERIVATIVES, MEDICAMENTS CONTAINING THESE COMPOUNDS, THEIR USE, AND METHODS FOR THE PRODUCTION THEREOF BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2002-03-07 — — 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 (7 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 EGFR 1/4885ERBB2 7/4885HDAC3 11/4885
US-20080221132-A1 Multi-Functional Small Molecules as Anti-Proliferative Agents HDAC1, HDAC6, HDAC5 EGFR 2358/4885ERBB2 2794/4885HDAC3 7/4885
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 EGFR 3/4885ERBB2 9/4885HDAC3 12/4885
US-20020077330-A1 Bicyclic heterocycles, pharmaceutical compositions containing them, their use, and processes for preparing them H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, NR3C2, CYP11B2 EGFR 417/4885ERBB2 545/4885HDAC3 795/4885
US-20090111772-A1 FORMULATION OF QUINAZOLINE BASED EGFR INHIBITORS CONTAINING A ZINC BINDING MOIETY HDAC6, HDAC5, HDAC1 EGFR 4/4885ERBB2 13/4885HDAC3 12/4885
US-20080139590-A1 QUINAZOLINE BASED EGFR INHIBITORS CONTAINING A ZINC BINDING MOIETY EGFR, HDAC1, HDAC6 EGFR 1/4885ERBB2 9/4885HDAC3 15/4885
US-20160214964-A1 QUINAZOLINE DERIVATIVE AND PREPARATION METHOD THEREFOR WEE1, WEE2, EGFR EGFR 3/4885ERBB2 4/4885HDAC3 2305/4885

“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.