SCHEMBL333768

SCHEMBL333768

Cc1ccc(C#N)c(Cl)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.49
NPSR1 Q6W5P4 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
HRH4 Q9H3N8 1/20 0.42
MAPT P10636 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
HPGD P15428 1/20 0.40
KHK P50053 1/20 0.40
MBOAT4 Q96T53 1/20 0.40
RPS6KA5 O75582 1/20 0.38
RPS6KA4 O75676 1/20 0.38
CYP2D6 P10635 1/20 0.37

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
SCHEMBL30242159 1.00 ALDH1A1 (0.49) ALDH1A1NPSR1CYP1A2CYP2C9CYP2C19
SCHEMBL14855312 0.78 CCR1 (0.36) ALDH1A1NPSR1CYP1A2CYP2C9CYP2C19
SCHEMBL565602 0.77 ALDH1A1 (0.43) ALDH1A1NPSR1CYP1A2CYP2C9CYP2C19
SCHEMBL30376853 0.77 ALDH1A1 (0.43) ALDH1A1NPSR1CYP1A2CYP2C9CYP2C19
SCHEMBL31253097 0.77 HRH4 (0.45) ALDH1A1NPSR1CYP1A2CYP2C9CYP2C19
SCHEMBL1641172 0.77 HRH4 (0.45) ALDH1A1NPSR1CYP1A2CYP2C9CYP2C19
SCHEMBL30164142 0.77 MBOAT4 (0.45) ALDH1A1NPSR1CYP1A2CYP2C9CYP2C19
SCHEMBL2394294 0.77 MBOAT4 (0.45) ALDH1A1NPSR1CYP1A2CYP2C9CYP2C19
SCHEMBL20110653 0.77 GRM5 (0.36) ALDH1A1NPSR1CYP1A2CYP2C9CYP2C19
SCHEMBL21927209 0.76 HRH4 (0.44) ALDH1A1NPSR1HRH4MAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119751448-A Preparation method of 3-iodo-6-methyl-1H-pyrazolo [3,4-b ] pyridine 上海医药集团(本溪)北方药业有限公司 2025-04-04 CN claimed
EP-3162796-B1 METHOD FOR PRODUCING 2-AMINO-6-METHYLNICOTINIC ACID AGRO KANESHO CO LTD (JP) 2021-06-09 EP claimed
CN-106458908-B The manufacturing method of 2- amino -6- methylnicotinic acids 阿格罗-金正株式会社 2018-11-06 CN claimed
US-9902697-B2 Method for producing 2-amino-6-methylnicotinic acid AGRO-KANESHO CO., LTD. (JP) 2018-02-27 US claimed
US-9714223-B2 2017-07-25 US claimed
US-20170129858-A1 METHOD FOR PRODUCING 2-AMINO-6-METHYLNICOTINIC ACID AGRO-KANESHO CO., LTD. (JP) 2017-05-11 US claimed
EP-3162796-A1 METHOD FOR PRODUCING 2-AMINO-6-METHYLNICOTINIC ACID Agro-Kanesho Co., Ltd. (JP) 2017-05-03 EP claimed
US-20130252953-A1 Targeting Human Thymidylate Kinase Induces DNA Repair Toxicity in Malignant Tumor Cells NATIONAL YANG-MING UNIVERSITY (TW) 2013-09-26 US claimed
US-5939568-A Accelerated catalysis of olefinic epoxidations THE SCRIPPS RESEARCH INSTITUTE (US) 1999-08-17 US claimed
WO-1998033786-A9 ACCELERATED CATALYSIS OF OLEFINIC EPOXIDATIONS 1998-12-30 WO claimed
WO-1998033786-A1 ACCELERATED CATALYSIS OF OLEFINIC EPOXIDATIONS THE SCRIPPS RESEARCH INSTITUTE (US) 1998-08-06 WO claimed
EP-4743462-A1 COMPOUNDS COMPRISING A NAPHTHYRIDINE OR PYRIDOPYRIMIDINE CORE AS PTC READ-THROUGH AGENTS Tay Therapeutics Limited (GB) 2026-05-20 EP disclosed
CN-122010928-A PCSK9 inhibitor and application thereof 江苏柯菲平医药股份有限公司 2026-05-12 CN disclosed
US-12508268-B2 Inhibitors of tryptophan dioxygenases (IDO1 and TDO) and their use in therapy AUCKLAND UNISERVICES LIMITED (NZ) 2025-12-30 US disclosed
EP-4637748-A2 PNU ANTHRACYCLINE-DERIVED LINKER-PAYLOADS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF Merck Sharp & Dohme LLC (US) 2025-10-29 EP disclosed
EP-0243868-A2 Pyridylthio-acylanilides BAYER AG (DE) 1987-11-04 EP disclosed
CN-85108698-A The preparation method and the application thereof of N-substituted aziridine-2-carboxylic acid 1986-07-23 CN disclosed
EP-0104876-A2 Herbicidal cyclohexane-1,3-dione derivatives ICI AUSTRALIA LIMITED (AU) 1984-04-04 EP disclosed
US-4350817-A 4-Cl, Br or I-3-Carboxy or cyano-1,2-dihydro-2-oxo-1,8-naphthyridine derivatives AMERICAN HOME PRODUCTS CORPORATION (US) 1982-09-21 US disclosed
US-4324893-A 4-Amino-3-carboxy or cyano-1,2-dihydro-2-oxo-1,8-naphthyridine derivatives AMERICAN HOME PRODUCTS CORPORATION (US) 1982-04-13 US 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-20130252953-A1 Targeting Human Thymidylate Kinase Induces DNA Repair Toxicity in Malignant Tumor Cells DTYMK, TYMP, DCK ALDH1A1 1837/4885NPSR1 4768/4885CYP1A2 4537/4885
US-12508268-B2 Inhibitors of tryptophan dioxygenases (IDO1 and TDO) and their use in therapy IDO1, IDO2, TDO2 ALDH1A1 732/4885NPSR1 223/4885CYP1A2 845/4885
US-20170129858-A1 METHOD FOR PRODUCING 2-AMINO-6-METHYLNICOTINIC ACID MAT2A, AADAT, AMPD2 ALDH1A1 919/4885NPSR1 2737/4885CYP1A2 353/4885

“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.