SCHEMBL3969844

SCHEMBL3969844

Cc1cc(B(O)O)sc1C#N

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
HPGD P15428 1/20 0.34
MGLL Q99685 1/20 0.33
MEN1 O00255 1/20 0.32
USP2 O75604 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
ALOX15 P16050 1/20 0.32
XBP1 P17861 1/20 0.32
KMT2A Q03164 1/20 0.32
HSD17B10 Q99714 1/20 0.32
GAA P10253 1/20 0.32

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
SCHEMBL27538352 0.72
SCHEMBL5988030 0.72 CYP2A6 (0.33) KDM4EALDH1A1SMN1; SMN2HPGDMEN1
SCHEMBL14986261 0.72
Hydrochloric Acid SCHEMBL27504580 0.71 HSD17B10 (0.36) KDM4EALDH1A1SMN1; SMN2HPGDMEN1
SCHEMBL12763605 0.69 KDM4E (0.33) KDM4EALDH1A1SMN1; SMN2HPGDUSP2
SCHEMBL22833105 0.68
SCHEMBL12917936 0.68
SCHEMBL22832657 0.68
SCHEMBL28736525 0.68 DAO (0.45) MGLLALOX15GAA
SCHEMBL1468406 0.68 KDM4E (0.34) KDM4EALDH1A1SMN1; SMN2HPGDMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11712438-B2 Phenyl derivatives as PGE2 receptor modulators IDORSIA PHARMACEUTICALS LTD (CH) 2023-08-01 US disclosed
US-20220363673-A1 5-(Thiophen-2-YL)-1 H-Tetrazole Derivative as BCKDK Inhibitors Useful for Treating Various Diseases PFIZER INC. (US) 2022-11-17 US disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
EP-3990452-A1 5-(THIOPHEN-2-YL)-1H-TETRAZOLE DERIVATIVES AS BCKDK INHIBITORS USEFUL FOR TREATING VARIOUS DISEASES Pfizer Inc. (US) 2022-05-04 EP disclosed
EP-2710018-B1 MACROCYCLIC COMPOUNDS AS PROTEIN KINASE INHIBITORS FUNDACION CENTRO NAC DE INVESTIGACIONES ONCOLOGICAS CARLOS III (ES) 2021-12-29 EP disclosed
EP-2710018-B1 MACROCYCLIC COMPOUNDS AS PROTEIN KINASE INHIBITORS FUNDACION CENTRO NAC DE INVESTIGACIONES ONCOLOGICAS CARLOS III (ES) 2021-12-29 EP disclosed
EP-3625222-B1 PHENYL DERIVATIVES AS PGE2 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2021-07-21 EP disclosed
WO-2020261144-A1 5-(THIOPHEN-2-YL)-1H-TETRAZOLE DERIVATIVES AS BCKDK INHIBITORS USEFUL FOR TREATING VARIOUS DISEASES PFIZER INC. (US) 2020-12-30 WO disclosed
US-20200179383-A1 PHENYL DERIVATIVES AS PGE2 RECEPTOR MODULATORS ACTELION PHARMACEUTICALS LTD (CH) 2020-06-11 US disclosed
EP-3625222-A1 PHENYL DERIVATIVES AS PGE2 RECEPTOR MODULATORS Idorsia Pharmaceuticals Ltd (CH) 2020-03-25 EP disclosed
EP-2726479-A1 NOVEL INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A AbbVie Deutschland GmbH & Co KG (DE) 2014-05-07 EP disclosed
EP-2710018-A2 NEW COMPOUNDS Centro Nacional de Investigaciones Oncológicas (CNIO) (ES) 2014-03-26 EP disclosed
WO-2013000994-A1 NOVEL INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A ABBOTT GMBH & CO. KG (DE) 2013-01-03 WO disclosed
US-20130005705-A1 NOVEL INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A ABBOTT LABORATORIES (US) 2013-01-03 US disclosed
WO-2012156756-A2 NEW COMPOUNDS CENTRO NACIONAL DE INVESTIGACIONES ONCOLÓGICAS (CNIO) (ES) 2012-11-22 WO disclosed
WO-2012156756-A2 NEW COMPOUNDS CENTRO NACIONAL DE INVESTIGACIONES ONCOLÓGICAS (CNIO) (ES) 2012-11-22 WO disclosed
WO-2009049028-A1 PYRROLOPYRIMIDINE COMPOUNDS AND THEIR USE AS JANUS KINASE MODULATORS TARGEGEN INC. (US) 2009-04-16 WO disclosed
WO-2009049028-A1 PYRROLOPYRIMIDINE COMPOUNDS AND THEIR USE AS JANUS KINASE MODULATORS TARGEGEN INC. (US) 2009-04-16 WO disclosed
WO-2009026345-A1 THIAZOLIDINONE COMPOUNDS, AND METHODS OF MAKING AND USING SAME TARGEGEN INC. (US) 2009-02-26 WO disclosed
WO-2009026345-A1 THIAZOLIDINONE COMPOUNDS, AND METHODS OF MAKING AND USING SAME TARGEGEN INC. (US) 2009-02-26 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-11712438-B2 Phenyl derivatives as PGE2 receptor modulators PTGER1, PTGER4, PTGER2 KDM4E 842/4885ALDH1A1 575/4885SMN1; SMN2 4692/4885
US-20220363673-A1 5-(Thiophen-2-YL)-1 H-Tetrazole Derivative as BCKDK Inhibitors Useful for Treating Various Diseases BCKDK, PDK4, PFKL KDM4E 1384/4885ALDH1A1 458/4885SMN1; SMN2 4188/4885
US-20200179383-A1 PHENYL DERIVATIVES AS PGE2 RECEPTOR MODULATORS PTGER1, PTGER4, PTGER2 KDM4E 791/4885ALDH1A1 527/4885SMN1; SMN2 4733/4885
US-20130005705-A1 NOVEL INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A PDE2A, PDE4A, PDE5A KDM4E 655/4885ALDH1A1 279/4885SMN1; SMN2 955/4885

“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.