Sugi Predict

Sugi Predict / Compounds / SCHEMBL379565

SCHEMBL379565

SCHEMBL379565

CC(C)(O)c1ccc(C#N)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 2/20 0.59
▸ CYP2A6 P11509 2/20 0.48
▸ CA2 P00918 2/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ CA12 O43570 1/20 0.48
▸ CA3 P07451 1/20 0.48
▸ CA6 P23280 1/20 0.48
▸ CA9 Q16790 1/20 0.48
▸ CA14 Q9ULX7 1/20 0.48
▸ CSNK1A1 P48729 1/20 0.48
▸ CSNK1D P48730 1/20 0.48
▸ GSK3B P49841 1/20 0.48
▸ CSNK1G2 P78368 1/20 0.48
▸ CYP19A1 P11511 2/20 0.44
▸ EPHX2 P34913 1/20 0.44
▸ PTPN5 P54829 1/20 0.43
▸ MMP3 P08254 1/20 0.43
▸ ENPP2 Q13822 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ NOS3 P29474 2/20 0.42

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
SCHEMBL13845191 0.86 KIF11 (0.59) KIF11CYP2A6CA2ALDH1A1CA12
SCHEMBL379246 0.85 ALDH1A1 (0.57) KIF11CA2ALDH1A1CSNK1A1CSNK1D
SCHEMBL1099894 0.84 KIF11 (0.57) KIF11CYP2A6CA2ALDH1A1CA12
SCHEMBL2635916 0.82 KIF11 (0.55) KIF11CYP2A6CA2ALDH1A1CA12
SCHEMBL29180056 0.82 KIF11 (0.55) KIF11CYP2A6CA2ALDH1A1CA12
SCHEMBL20149636 0.80 KIF11 (0.64) KIF11CYP2A6CA2ALDH1A1CA12
SCHEMBL29244941 0.80 KIF11 (0.64) KIF11CYP2A6CA2ALDH1A1CA12
SCHEMBL2998724 0.80 KIF11 (0.64) KIF11CYP2A6CA2ALDH1A1CA12
SCHEMBL69655 0.80 KIF11 (0.86) KIF11CYP2A6CA2ALDH1A1CA12
SCHEMBL678344 0.80 KIF11 (0.64) KIF11CYP2A6CA2ALDH1A1CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116670127-A EGFR inhibitors and compositions and uses thereof 贝达药业股份有限公司 2023-08-29 — — CN claimed
CN-102341397-A Improved chemical synthesis of diazaindoles by chichibabin cyclization SANOFI AVENTIS 2012-02-01 — — CN claimed
EP-2408777-A1 IMPROVED CHEMICAL SYNTHESIS OF DIAZAINDOLES BY CHICHIBABIN CYCLIZATION SANOFI (FR) 2012-01-25 — — EP claimed
US-20120010409-A1 IMPROVED CHEMICAL SYNTHESIS OF DIAZAINDOLES BY CHICHIBABIN CYCLIZATION SANOFI (FR) 2012-01-12 — — US claimed
WO-2010107969-A1 IMPROVED CHEMICAL SYNTHESIS OF DIAZAINDOLES BY CHICHIBABIN CYCLIZATION SANOFI-AVENTIS (FR) 2010-09-23 — — WO claimed
US-20250026764-A1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 UNIV VANDERBILT (US) 2025-01-23 — — US disclosed
US-20230348490-A1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 VANDERBILT UNIVERSITY 2023-11-02 — — US disclosed
US-20230348490-A1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 VANDERBILT UNIVERSITY 2023-11-02 — — US disclosed
US-20230348490-A1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 VANDERBILT UNIVERSITY 2023-11-02 — — US 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
EP-4186910-A1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 Vanderbilt University (US) 2023-05-31 — — EP disclosed
EP-4186910-A1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 Vanderbilt University (US) 2023-05-31 — — EP disclosed
US-20030144300-A1 Pyrimidine carboxamides useful as inhibitors of pde4 isozymes PFIZER PRODUCTS INC. 2003-07-31 — — US disclosed
CN-1404480-A Pyrimidine carboxamides as inhibitors of the PDE4 isozyme PFIZER PROD INC (US) 2003-03-19 — — CN disclosed
EP-1252157-A1 PYRIMIDINE CARBOXAMIDES USEFUL AS INHIBITORS OF PDE4 ISOZYMES Pfizer Products Inc. (US) 2002-10-30 — — EP disclosed
US-6380218-B1 FOR THERAPY OF RESPIRATORY, ALLERGIC, AND INFLAMMATORY DISORDERS COMPRISING ASTHMA, CHRONIC OBSTRUCTIVE PULMONARY DISEASE, ACUTE RESPIRATORY DISEASE SYNDROME, PULMONARY HYPERSENSITIVITY, AND ALLERGIC RHINITIS IN A MAMMAL PFIZER INC 2002-04-30 — — US disclosed
WO-2001057025-A1 PYRIMIDINE CARBOXAMIDES USEFUL AS INHIBITORS OF PDE4 ISOZYMES PFIZER PRODUCTS INC. (US) 2001-08-09 — — WO disclosed
CN-1254335-A Nicotinamide derivatives PFIZER PROD INC (US) 2000-05-24 — — CN disclosed
EP-0971894-A1 NICOTINAMIDE DERIVATIVES Pfizer Products Inc. (US) 2000-01-19 — — EP disclosed
WO-1998045268-A1 NICOTINAMIDE DERIVATIVES PFIZER PRODUCTS INC. (US) 1998-10-15 — — WO 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 (4 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-20230348490-A1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 CHRM4, CHRM5, CHRM2 KIF11 1661/4885CYP2A6 2119/4885CA2 3160/4885
US-20250026764-A1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 CHRM4, CHRM5, CHRM2 KIF11 1661/4885CYP2A6 2119/4885CA2 3160/4885
US-20120010409-A1 IMPROVED CHEMICAL SYNTHESIS OF DIAZAINDOLES BY CHICHIBABIN CYCLIZATION COASY, CYP51A1, DCXR KIF11 4515/4885CYP2A6 168/4885CA2 2264/4885
US-20030144300-A1 Pyrimidine carboxamides useful as inhibitors of pde4 isozymes PDE12, PDE4A, PDE4B KIF11 4511/4885CYP2A6 429/4885CA2 1417/4885

“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.