SCHEMBL2633134

SCHEMBL2633134

CCc1ccc(C#N)cn1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.48
ALDH1A1 P00352 5/20 0.46
KDM4E B2RXH2 4/20 0.46
L3MBTL1 Q9Y468 3/20 0.46
HPGD P15428 2/20 0.43
HTT P42858 1/20 0.43
MBOAT4 Q96T53 1/20 0.42
CYP11B2 P19099 2/20 0.40
KDM1A O60341 1/20 0.39
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
PTGER4 P35408 1/20 0.36
LOXL2 Q9Y4K0 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
SCHEMBL7219997 0.84 CYP19A1 (0.45) CYP2A6ALDH1A1KDM4EL3MBTL1HPGD
SCHEMBL17845779 0.83 KDM4E (0.42) CYP2A6ALDH1A1KDM4EL3MBTL1HPGD
SCHEMBL7213728 0.81 KDM4E (0.49) CYP2A6ALDH1A1KDM4EL3MBTL1HPGD
SCHEMBL6263230 0.80 LOXL2 (0.52) CYP2A6ALDH1A1KDM4EL3MBTL1HPGD
SCHEMBL1042523 0.80 KDM4E (0.40) ALDH1A1KDM4EL3MBTL1HPGDHTT
SCHEMBL23019527 0.80 KDM4E (0.51) CYP2A6ALDH1A1KDM4EL3MBTL1HPGD
SCHEMBL30832037 0.80 MBOAT4 (0.43) CYP2A6ALDH1A1KDM4EL3MBTL1HPGD
SCHEMBL507552 0.79 KDM4E (0.42) CYP2A6ALDH1A1KDM4EL3MBTL1HPGD
SCHEMBL453493 0.79 KDM4E (0.42) CYP2A6ALDH1A1KDM4EL3MBTL1HPGD
SCHEMBL23171396 0.79 MEN1 (0.43) CYP2A6ALDH1A1KDM4EL3MBTL1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024151833-A1 SPIRO DERIVATIVES AS M4 ACTIVATORS/MODULATORS AND USES THEREOF CEREVEL THERAPEUTICS, LLC (US) 2024-07-18 WO disclosed
US-11834430-B2 Compounds useful as inhibitors of isoprenylcysteine carboxyl methyltransferase AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2023-12-05 US disclosed
US-20230312522-A1 CYP46A1 INHIBITORS AND METHODS OF USE THEREOF SAGE THERAPEUTICS, INC. 2023-10-05 US disclosed
US-20230250129-A1 NEUROACTIVE STEROIDS AND COMPOSITIONS THEREOF SAGE THERAPEUTICS, INC. 2023-08-10 US disclosed
US-20230145071-A1 MASP-2 INHIBITORS AND METHODS OF USE OMEROS CORPORATION 2023-05-11 US disclosed
EP-3324977-B1 BENZODIAZEPINE DERIVATIVES AS RSV INHIBITORS ENANTA PHARM INC (US) 2022-07-13 EP disclosed
WO-2022115381-A1 COMPOSITIONS AND METHODS FOR TREATING CNS DISORDERS CROSS REFERENCE TO RELATED APPLICATION SAGE THERAPEUTICS, ONC. (US) 2022-06-02 WO disclosed
US-11224224-B2 Thiobenzoimidazole as fungicides REDAG CROP PROTECTION LTD. (GB) 2022-01-18 US disclosed
WO-2021262836-A1 3.ALPHA.-HYDROXY, 17.BETA.-C(O)-N-ARYL SUBSTITUTED NEUROACTIVE STEROIDS AND COMPOSITIONS THEREOF SAGE THERAPEUTICS, INC. (US) 2021-12-30 WO disclosed
WO-2021096304-A1 GLP-1 RECEPTOR AGONIST AND USE THEREOF ILDONG PHARMACEUTICAL CO., LTD. (KR) 2021-05-20 WO disclosed
US-7312209-B2 Acridone inhibitors of IMPDH enzyme BRISTOL-MYERS SQUIBB COMPANY (US) 2007-12-25 US disclosed
US-7312209-B2 Acridone inhibitors of IMPDH enzyme BRISTOL-MYERS SQUIBB COMPANY (US) 2007-12-25 US disclosed
US-7253204-B2 Antiproliferative agents METHYLGENE INC. (CA) 2007-08-07 US disclosed
EP-1697370-B1 AZABICYCLIC HETEROCYCLES AS CANNABINOID RECEPTOR MODULATORS BRISTOL MYERS SQUIBB CO (US) 2007-04-25 EP disclosed
EP-1458392-A4 ACRIDONE INHIBITORS OF IMPDH ENZYME BRISTOL MYERS SQUIBB CO (US) 2005-06-08 EP disclosed
EP-1458392-A2 ACRIDONE INHIBITORS OF IMPDH ENZYME Bristol-Myers Squibb Company (US) 2004-09-22 EP disclosed
US-20040053955-A1 Acridone inhibitors of IMPDH enzyme BRISTOL-MYERS SQUIBB COMPANY 2004-03-18 US disclosed
US-6603007-B1 Intermediates in the fields of pharmaceuticals, agrichemicals, ligands, silver halide photosensitive materials, liquid crystals, surfactants, electrophotography and organic electroluminescence SANKIO CHEMICAL CO., LTD. (JP) 2003-08-05 US disclosed
WO-2003059269-A2 ACRIDONE INHIBITORS OF IMPDH ENZYME BRISTOL-MYERS SQUIBB COMPANY (US) 2003-07-24 WO disclosed
EP-1231207-A1 NOVEL BIPYRIDYL DERIVATIVES Sankio Chemical Co., Ltd. (JP) 2002-08-14 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 (6 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-20040053955-A1 Acridone inhibitors of IMPDH enzyme IMPDH2, IMPDH1, XDH CYP2A6 220/4885ALDH1A1 39/4885KDM4E 2516/4885
US-20230312522-A1 CYP46A1 INHIBITORS AND METHODS OF USE THEREOF CYP46A1, CYP26A1, CYP4A22 CYP2A6 10/4885ALDH1A1 111/4885KDM4E 1884/4885
US-20230145071-A1 MASP-2 INHIBITORS AND METHODS OF USE MASP2, METAP2, SPINT2 CYP2A6 4638/4885ALDH1A1 4701/4885KDM4E 4128/4885
US-11224224-B2 Thiobenzoimidazole as fungicides CYP1B1, CYP51A1, CYP1A2 CYP2A6 68/4885ALDH1A1 280/4885KDM4E 1194/4885
US-11834430-B2 Compounds useful as inhibitors of isoprenylcysteine carboxyl methyltransferase ICMT, INMT, BHMT CYP2A6 1209/4885ALDH1A1 592/4885KDM4E 2117/4885
US-20230250129-A1 NEUROACTIVE STEROIDS AND COMPOSITIONS THEREOF MC2R, NR3C2, AVPR1B CYP2A6 349/4885ALDH1A1 1664/4885KDM4E 2318/4885

“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.