SCHEMBL214031

SCHEMBL214031

Cc1cc([N+](=O)[O-])c(Cl)cc1F

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ ALDH1A1 P00352 2/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ CYP1A2 P05177 1/20 0.43
▸ ATM Q13315 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ VCAM1 P19320 7/20 0.41
▸ PGK1 P00558 1/20 0.41
▸ SLC9A1 P19634 1/20 0.40
▸ HIF1A Q16665 1/20 0.40
▸ HSD17B10 Q99714 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
SCHEMBL31693512 1.00 TSHR (0.46) TSHRMAPK1ALDH1A1CYP3A4CYP1A2
SCHEMBL600893 0.85 TDP1 (0.46) TSHRMAPK1ALDH1A1CYP3A4CYP1A2
SCHEMBL29936995 0.85 TDP1 (0.46) TSHRMAPK1ALDH1A1CYP3A4CYP1A2
SCHEMBL29653309 0.84 TSHR (0.52) TSHRMAPK1ALDH1A1CYP3A4ATM
SCHEMBL2477068 0.84 TSHR (0.52) TSHRMAPK1ALDH1A1CYP3A4ATM
SCHEMBL3633645 0.84 TSHR (0.52) TSHRMAPK1ALDH1A1CYP3A4CYP1A2
SCHEMBL31592017 0.84 TSHR (0.52) TSHRMAPK1ALDH1A1CYP3A4CYP1A2
Hydrochloric Acid SCHEMBL28508306 0.83 TDP1 (0.44) TSHRMAPK1ALDH1A1CYP3A4CYP1A2
SCHEMBL107162 0.82 TDP1 (0.50) TSHRALDH1A1CYP3A4CYP1A2ATM
SCHEMBL864500 0.82 TSHR (0.50) TSHRMAPK1ALDH1A1CYP3A4CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12447153-B2 HER2 mutation inhibitors PFIZER INC. (US) 2025-10-21 — — US disclosed
EP-3590516-B1 ANTITUMOR-EFFECT ENHANCER USING PYRAZOLO[3,4-D]PYRIMIDINE COMPOUND TAIHO PHARMACEUTICAL CO LTD (JP) 2025-09-03 — — EP disclosed
EP-4608830-A1 HETEROCYCLIC COMPOUNDS AS STING ANTAGONISTS Boehringer Ingelheim International GmbH (DE) 2025-09-03 — — EP disclosed
US-20240360102-A1 PYRIMIDINE-4,6-DIAMINE DERIVATIVE, A PREPARATION METHOD THEREFOR, AND A PHARMACEUTICAL APPLICATION THEREOF ABBISKO THERAPEUTICS CO., LTD. (CN) 2024-10-31 — — US disclosed
EP-4382520-A1 PYRIMIDINE-4,6-DIAMINE DERIVATIVE, A PREPARATION METHOD THEREFOR, AND A PHARMACEUTICAL APPLICATION THEREOF Abbisko Therapeutics Co., Ltd. (CN) 2024-06-12 — — EP disclosed
WO-2024089155-A1 HETEROCYCLIC COMPOUNDS AS STING ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2024-05-02 — — WO disclosed
EP-4359082-A1 HER2 MUTATION INHIBITORS Array BioPharma Inc. (US) 2024-05-01 — — EP disclosed
CN-117940425-A HER2 mutation inhibitors 阿雷生物药品公司 2024-04-26 — — CN disclosed
CN-116981662-A Pyrimidine-4, 6-diamine derivative, preparation method and pharmaceutical application thereof 上海和誉生物医药科技有限公司 2023-10-31 — — CN disclosed
CN-116670127-A EGFR inhibitors and compositions and uses thereof 贝达药业股份有限公司 2023-08-29 — — CN disclosed
CN-1434828-A Novel bisaminophosphonate prodrugs METABASIS THERAPEUTICS INC (US) 2003-08-06 — — CN disclosed
EP-1289952-A1 INDOLE DERIVATIVES WITH VASCULAR DAMAGING ACTIVITY AstraZeneca AB (SE) 2003-03-12 — — EP disclosed
US-20020173490-A1 Novel bisamidate phosphonate prodrugs METABASIS THERAPEUTICS, INC. 2002-11-21 — — US disclosed
EP-0865421-B1 ARYLETHANOLAMINE DERIVATIVES AND THEIR USE AS AGONISTS OF ATYPICAL BETA-ADRENOCEPTORS GLAXO GROUP LTD (GB) 2002-03-27 — — EP disclosed
WO-2001092224-A1 INDOLE DERIVATIVES WITH VASCULAR DAMAGING ACTIVITY ASTRAZENECA AB (SE) 2001-12-06 — — WO disclosed
CN-1053666-C Benzoheterocyclic compounds OTSUKA PHARMA CO LTD (JP) 2000-06-21 — — CN disclosed
US-6048872-A DIETETICS; ANTIDIABETIC AGENTS; CARDIOVASCULAR DISORDERS; GASTROINTESTINAL DISORDERS GLAXO WELLCOME INC. (US) 2000-04-11 — — US disclosed
EP-0865421-A1 ARYLETHANOLAMINE DERIVATIVES AND THEIR USE AS AGONISTS OF ATYPICAL BETA-ADRENOCEPTORS GLAXO GROUP LIMITED (GB) 1998-09-23 — — EP disclosed
WO-1997021665-A1 ARYLETHANOLAMINE DERIVATIVES AND THEIR USE AS AGONISTS OF ATYPICAL BETA-ADRENOCEPTORS GLAXO GROUP LIMITED (GB) 1997-06-19 — — WO disclosed
CN-1030237-A BENZOHETEROCYCLIC COMPOUNDS OTSUKA PHARMA CO LTD (JP) 1989-01-11 — — 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 (3 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-20020173490-A1 Novel bisamidate phosphonate prodrugs FBP1, PFKFB1, G6PC1 TSHR 3350/4885MAPK1 434/4885ALDH1A1 852/4885
US-12447153-B2 HER2 mutation inhibitors ERBB2, EGFR, ERBB3 TSHR 296/4885MAPK1 97/4885ALDH1A1 2320/4885
US-20240360102-A1 PYRIMIDINE-4,6-DIAMINE DERIVATIVE, A PREPARATION METHOD THEREFOR, AND A PHARMACEUTICAL APPLICATION THEREOF WEE1, WEE2, EGFR TSHR 2385/4885MAPK1 660/4885ALDH1A1 697/4885

“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.

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