SCHEMBL989065

SCHEMBL989065

COc1ccc(C(C)(C)C#N)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
CA7 P43166 2/20 0.48
CA9 Q16790 2/20 0.48
CA12 O43570 1/20 0.48
CA14 Q9ULX7 1/20 0.48
F10 P00742 1/20 0.42
MAPT P10636 3/20 0.42
ALDH1A1 P00352 5/20 0.41
APEX1 P27695 2/20 0.41
KDM4E B2RXH2 2/20 0.41
CYP3A4 P08684 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
CYP1A2 P05177 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
NFKB1 P19838 1/20 0.41
BLM P54132 1/20 0.41
PMP22 Q01453 1/20 0.41
ACHE P22303 1/20 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
SCHEMBL7592144 0.84 CA1 (0.50) CA1CA2CA7CA9CA12
SCHEMBL6563317 0.83 KIF11 (0.41) MAPTALDH1A1KDM4ECYP3A4NPSR1
SCHEMBL3524113 0.82 CA1 (0.52) CA1CA2CA7CA9CA12
SCHEMBL7591916 0.80 CA1 (0.41) CA1CA2CA7CA9CA12
SCHEMBL7061017 0.80 CA1 (0.50) CA1CA2CA7CA9CA12
SCHEMBL7292325 0.80 RAB9A (0.69) MAPTALDH1A1KDM4ECYP3A4CYP1A2
SCHEMBL7303145 0.80 RAB9A (0.69) MAPTALDH1A1KDM4ECYP3A4CYP1A2
SCHEMBL3955936 0.79 ALDH1A1 (0.34) CA1CA2CA9F10MAPT
SCHEMBL3742483 0.78 CA1 (0.48) CA1CA2CA7CA9CA12
SCHEMBL5055677 0.78 ALDH1A1 (0.48) CA1CA2ALDH1A1KDM4ECYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250122152-A1 KAT6 Inhibitors BEIGENE SWITZERLAND GMBH (CH) 2025-04-17 US disclosed
WO-2025068943-A1 KAT6 INHIBITORS BEIGENE SWITZERLAND GMBH (CH) 2025-04-03 WO disclosed
CN-119591621-A Novel ecteinascidin derivatives, preparation method and application thereof, antibody drug conjugate and application thereof 泰诚思(上海)生物医药有限公司 2025-03-11 CN disclosed
US-11274100-B2 EP300/CREBBP inhibitor DAIICHI SANKYO COMPANY, LIMITED (JP) 2022-03-15 US disclosed
US-20210171520-A1 EP300/CREBBP INHIBITOR DAIICHI SANKYO COMPANY, LIMITED (JP) 2021-06-10 US disclosed
US-20210171520-A1 EP300/CREBBP INHIBITOR DAIICHI SANKYO COMPANY, LIMITED (JP) 2021-06-10 US disclosed
EP-3087060-B1 PYRIMIDONE CARBOXAMIDE COMPOUNDS AS PDE2 INHIBITORS MERCK SHARP & DOHME (US) 2020-05-13 EP disclosed
EP-3643703-A1 EP300/CREBBP INHIBITOR Daiichi Sankyo Co., Ltd. (JP) 2020-04-29 EP disclosed
US-10100019-B2 N2-(2-methoxyphenyl)pyrimidine derivative, method for preparing same, and pharmaceutical composition for cancer prevention or treatment containing same as active ingredient KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2018-10-16 US disclosed
US-20180111905-A1 N2-(2-METHOXYPHENYL)PYRIMIDINE DERIVATIVE, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION FOR CANCER PREVENTION OR TREATMENT CONTAINING SAME AS ACTIVE INGREDIENT KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2018-04-26 US disclosed
WO-2004026305-A9 DIARYL ETHERS AS OPIOID RECEPTOR ANTAGONIST LILLY CO ELI (US) 2004-05-13 WO disclosed
WO-2004026305-A1 DIARYL ETHERS AS OPIOID RECEPTOR ANTAGONIST ELI LILLY AND COMPANY (US) 2004-04-01 WO disclosed
WO-2003097576-A2 DIAMINO-FUNCTIONAL CHALCONES LICA PHARMACEUTICALS A/S (DK) 2003-11-27 WO disclosed
WO-2003097575-A2 AMINO-FUNCTIONAL CHALCONES LICA PHARMACEUTICALS A/S (DK) 2003-11-27 WO disclosed
WO-2003074495-A1 HPPARS ACTIVATORS SMITHKLINE BEECHAM CORPORATION (US) 2003-09-12 WO disclosed
EP-0780375-B1 3-((5-substituted benzyl)amino)-2-phenylpiperidines as substance p antagonists PFIZER (US) 2002-09-11 EP disclosed
US-6303782-B1 TREATING A FLUORINE-SUBSTITUTED AROMATIC COMPOUND WITH A SECONDARY NITRILE IN THE PRESENCE OF A BASE PFIZER INC 2001-10-16 US disclosed
EP-1046635-A1 Process for preparing an aromatic compound substituted by a tertiary nitrile Pfizer Products Inc. (US) 2000-10-25 EP disclosed
US-5789423-A ANTIALLERGENS, ANTIINFLAMMATORY AGENTS; GASTROINTESTINAL AND CENTRAL NERVOUS SYSTEM DISORDERS PFIZER INC. (US) 1998-08-04 US disclosed
EP-0780375-A1 3-((5-substituted benzyl)amino)-2-phenylpiperidines as substance p antagonists PFIZER INC. (US) 1997-06-25 EP 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 (5 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-11274100-B2 EP300/CREBBP inhibitor EP300, CREBBP, CREB1 CA1 4335/4885CA2 3535/4885CA7 4464/4885
US-20180111905-A1 N2-(2-METHOXYPHENYL)PYRIMIDINE DERIVATIVE, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION FOR CANCER PREVENTION OR TREATMENT CONTAINING SAME AS ACTIVE INGREDIENT ALK, NPM1, EML4 CA1 4701/4885CA2 2767/4885CA7 4119/4885
US-10100019-B2 N2-(2-methoxyphenyl)pyrimidine derivative, method for preparing same, and pharmaceutical composition for cancer prevention or treatment containing same as active ingredient ALK, NPM1, EML4 CA1 4701/4885CA2 2767/4885CA7 4119/4885
US-20210171520-A1 EP300/CREBBP INHIBITOR EP300, CREBBP, CREB1 CA1 4335/4885CA2 3535/4885CA7 4464/4885
US-20250122152-A1 KAT6 Inhibitors KAT6A, KAT6B, KAT7 CA1 1237/4885CA2 2848/4885CA7 3005/4885

“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.