SCHEMBL26162

SCHEMBL26162

COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1[N+](=O)[O-]

nearest known ligand 0.75

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EGFR P00533 18/20 0.75
KDR P35968 2/20 0.75
FBP1 P09467 2/20 0.75
ERBB2 P04626 2/20 0.75
AURKA O14965 1/20 0.75
INSR P06213 1/20 0.75
PDGFRB P09619 1/20 0.75
FLT4 P35916 1/20 0.75
CLK1 P49759 1/20 0.75
EPHB4 P54760 1/20 0.75
TEK Q02763 1/20 0.75
AURKB Q96GD4 1/20 0.75
ERBB4 Q15303 1/20 0.62

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
SCHEMBL29365524 1.00 EGFR (0.75) EGFRKDRFBP1ERBB2AURKA
SCHEMBL29614965 1.00 EGFR (0.75) EGFRKDRFBP1ERBB2AURKA
Hydrochloric Acid SCHEMBL641807 0.99 EGFR (0.74) EGFRKDRFBP1ERBB2AURKA
SCHEMBL19006857 0.96 EGFR (0.75) EGFRKDRFBP1ERBB2AURKA
SCHEMBL16212621 0.93 EGFR (0.65) EGFRKDRFBP1ERBB2AURKA
SCHEMBL16212087 0.90 FBP1 (0.76) EGFRKDRFBP1ERBB2AURKA
SCHEMBL642350 0.90 EGFR (0.64) EGFRKDRFBP1ERBB2AURKA
SCHEMBL19293607 0.89 FBP1 (0.66) EGFRKDRFBP1ERBB2AURKA
SCHEMBL17538495 0.89 EGFR (0.63) EGFRKDRFBP1ERBB2AURKA
SCHEMBL16212227 0.89 FBP1 (0.59) EGFRKDRFBP1ERBB2AURKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113861120-A Preparation method of dacomitinib 湖南南新制药股份有限公司 2021-12-31 CN claimed
CN-111297865-A Use of heterocyclic compound-containing composition for preparing medicine for treating lung cancer 黄泳华 2020-06-19 CN claimed
US-20240382599-A1 EGFR PROTEOLYSIS TARGETING CHIMERIC MOLECULES AND ASSOCIATED METHODS OF USE ARVINAS OPERATIONS, INC. 2024-11-21 US disclosed
CN-115850248-B Tinich antitumor drug compound and preparation method and application thereof 南京友怡医药科技有限公司 2024-07-02 CN disclosed
CN-117304170-A Bifunctional molecule capable of degrading EGFR mutant and preparation method and application thereof 中国药科大学 2023-12-29 CN disclosed
CN-114315595-B Preparation method of carbon-supported iron-based catalyst and application of intermediate synthesis of anticancer inhibitor of carbon-supported iron-based catalyst 奥锐特药业股份有限公司 2023-12-05 CN disclosed
WO-2023098592-A1 PREPARATION METHOD FOR CARBON-LOADED IRON-BASED CATALYST AND USE THEREOF IN SYNTHESIS OF INTERMEDIATES OF ANTI-CANCER INHIBITORS 奥锐特药业股份有限公司 2023-06-08 WO disclosed
CN-115850248-A Teninil antitumor drug compound and preparation method and application thereof 南京友怡医药科技有限公司 2023-03-28 CN disclosed
WO-2022184119-A1 TYROSINE KINASE INHIBITOR AND PHARMACEUTICAL USE THEREOF 江苏康可得生物技术股份有限公司 2022-09-09 WO disclosed
CN-114394942-A Tyrosine kinase inhibitor and pharmaceutical application thereof 江苏康可得生物技术股份有限公司 2022-04-26 CN disclosed
CN-114315595-A Preparation method of carbon-supported iron-based catalyst and synthesis application of anti-cancer inhibitor intermediate thereof 湖南大学 2022-04-12 CN 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
EP-1746999-A1 4-PHENYLAMINO-QUINAZOLIN-6-YL-AMIDES Warner-Lambert Company LLC (US) 2007-01-31 EP disclosed
WO-2005107758-A1 4-PHENYLAMINO-QUINAZOLIN-6-YL-AMIDES WARNER-LAMBERT COMPANY LLC (US) 2005-11-17 WO disclosed
US-20050250761-A1 such as -Piperidin-1-yl-but-2-enoic acid [4(3-chloro-4-fluoro-phenylamino)-7-methoxy-quinazolin-6-yl]-amide, used as tyrosine kinase inhibitors, for the prevention of proliferative diseases, including cancer, atherosclerosis, restenosis, endometriosis and psoriasis PFIZER INC 2005-11-10 US disclosed
US-5955464-A USE OF THE RECEPTOR TYROSINE KINASE INHIBITORY PROPERTIES OF THE COMPOUNDS IN THE TREATMENT OF PROLIFERATIVE DISEASE SUCH AS CANCER ZENECA LIMITED (GB) 1999-09-21 US disclosed
EP-0794953-B1 QUINAZOLINE DERIVATIVES ZENECA LTD (GB) 1999-05-06 EP disclosed
EP-0794953-A1 QUINAZOLINE DERIVATIVES ZENECA LIMITED (GB) 1997-09-17 EP disclosed
WO-1996016960-A1 QUINAZOLINE DERIVATIVES ZENECA LIMITED (GB) 1996-06-06 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 (2 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-20240382599-A1 EGFR PROTEOLYSIS TARGETING CHIMERIC MOLECULES AND ASSOCIATED METHODS OF USE TBK1, EGFR, CBL EGFR 2/4885KDR 241/4885FBP1 2591/4885
US-20050250761-A1 such as -Piperidin-1-yl-but-2-enoic acid [4(3-chloro-4-fluoro-phenylamino)-7-methoxy-quinazolin-6-yl]-amide, used as tyrosine kinase inhibitors, for the prevention of proliferative diseases, including cancer, atherosclerosis, restenosis, endometriosis and psoriasis JAK1, JAK2, EDNRA EGFR 41/4885KDR 503/4885FBP1 4696/4885

“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.