SCHEMBL1853358

SCHEMBL1853358

CC(=O)c1cc(C#N)ccn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
GRM4 Q14833 1/20 0.44
LRRK2 Q5S007 1/20 0.42
GRM5 P41594 1/20 0.42
MAPT P10636 2/20 0.40
KDM4C Q9H3R0 2/20 0.40
PYGL P06737 1/20 0.40
PYGM P11217 1/20 0.40
POLB P06746 1/20 0.39
ANO1 Q5XXA6 1/20 0.38
MYC P01106 1/20 0.37
DYRK1A Q13627 1/20 0.37
CLK4 Q9HAZ1 1/20 0.37
PANK3 Q9H999 1/20 0.36
HCRTR1 O43613 1/20 0.36
HCRTR2 O43614 1/20 0.36
KDM4E B2RXH2 1/20 0.36
KDM6B O15054 1/20 0.36
TET3 O43151 1/20 0.36
KDM4A O75164 1/20 0.36

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
SCHEMBL5936390 0.83 KDM4C (0.55) ALDH1A1GRM4LRRK2GRM5MAPT
Water SCHEMBL347466 0.83 KDM4C (0.55) ALDH1A1GRM4LRRK2GRM5MAPT
SCHEMBL3511033 0.81 LRRK2 (0.40) GRM4LRRK2GRM5KDM4CPYGL
SCHEMBL7718659 0.81 MYC (0.47) GRM4LRRK2GRM5KDM4CPYGL
SCHEMBL17495430 0.81 GRM4 (0.48) ALDH1A1GRM4LRRK2GRM5MAPT
SCHEMBL2173326 0.81 ACACB (0.50) ALDH1A1GRM4LRRK2GRM5MAPT
SCHEMBL17546406 0.81 LRRK2 (0.48) GRM4LRRK2GRM5PYGLPYGM
SCHEMBL9324648 0.81 RAB9A (0.42) ALDH1A1GRM4LRRK2GRM5MAPT
SCHEMBL19631996 0.79 KDM4E (0.49) GRM4LRRK2GRM5MAPTKDM4C
SCHEMBL22637041 0.77 GRM4 (0.38) GRM4LRRK2GRM5PYGLPYGM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4695240-A2 CYCLIC VINYL SULFONE WRN INHIBITORS Nimbus Wadjet, Inc. (US) 2026-02-18 EP disclosed
WO-2024215923-A2 CYCLIC VINYL SULFONE WRN INHIBITORS NIMBUS WADJET, INC. (US) 2024-10-17 WO disclosed
CN-112390755-B Heteroaryl method for amine 中国科学院理化技术研究所 2024-08-02 CN disclosed
WO-2023183813-A2 BORON-CAPPED CLATHROCHELATE AND MACROCYCLIC LIGANDS AND METAL COMPLEXES THEREOF U-REIF INVESTMENTS LIMITED PARTNERSHIP (CA) 2023-09-28 WO disclosed
CN-112390755-A Method for heteroarylation of amine 中国科学院理化技术研究所 2021-02-23 CN disclosed
WO-2017198785-A1 OXIME DERIVATIVES USEFUL AS INHIBITORS OF HISTONE DEMETHYLASE KDM4C IEO - ISTITUTO EUROPEO DI ONCOLOGIA S.R.L. (IT) 2017-11-23 WO disclosed
WO-2017198785-A1 OXIME DERIVATIVES USEFUL AS INHIBITORS OF HISTONE DEMETHYLASE KDM4C IEO - ISTITUTO EUROPEO DI ONCOLOGIA S.R.L. (IT) 2017-11-23 WO disclosed
EP-2834238-B1 DIACYLGLYCEROL ACYLTRANSFERASE 2 INHIBITORS PFIZER (US) 2017-02-01 EP disclosed
US-9296745-B2 Diacylglycerol acyltransferase 2 inhibitors PFIZER INC. (US) 2016-03-29 US disclosed
US-20150087585-A1 DIACYLGLYCEROL ACYLTRANSFERASE 2 INHIBITORS PFIZER INC. (US) 2015-03-26 US disclosed
WO-2003059269-A2 ACRIDONE INHIBITORS OF IMPDH ENZYME BRISTOL-MYERS SQUIBB COMPANY (US) 2003-07-24 WO disclosed
US-5376685-A Arylhydrazones using as SAMDC inhibitors CIBA-GEIGY CORPORATION (US) 1994-12-27 US disclosed
US-5371097-A Antiulcer agents FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-12-06 US disclosed
US-5364871-A Antiulcer agents FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-11-15 US disclosed
US-5238941-A S-adenosylmethionine decarboxylase inhibitors CIBA-GEIGY CORPORATION (US) 1993-08-24 US disclosed
EP-0335832-B1 ARYL HYDRAZONES CIBA-GEIGY AG (CH) 1993-02-10 EP disclosed
US-5118709-A Decarboxylase enzyme inhibitors; antitumor agents CIBA-GEIGY CORPORATION (US) 1992-06-02 US disclosed
EP-0417751-A2 New thiazole derivatives, processes for the preparation thereof and pharmaceutical compositon comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-03-20 EP disclosed
US-4971986-A ANTITUMOR AGENTS CIBA-GEIGY CORPORATION (US) 1990-11-20 US disclosed
EP-0335832-A2 Aryl hydrazones CIBA-GEIGY AG (CH) 1989-10-04 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 (1 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-20150087585-A1 DIACYLGLYCEROL ACYLTRANSFERASE 2 INHIBITORS DGAT2, DGAT1, PLAAT2 ALDH1A1 453/4885GRM4 3894/4885LRRK2 3753/4885

“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.