SCHEMBL197295

SCHEMBL197295

O=COCCN1CCOCC1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.42
ALDH1A1 P00352 4/20 0.42
KDM4E B2RXH2 2/20 0.42
KEAP1 Q14145 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ATM Q13315 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
TSHR P16473 1/20 0.39
KMT2A Q03164 2/20 0.39
LMNA P02545 1/20 0.39
MEN1 O00255 1/20 0.39

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
SCHEMBL9869781 0.88 KEAP1 (0.48) ALDH1A1KDM4EKEAP1SMN1; SMN2TSHR
SCHEMBL20407546 0.84
SCHEMBL64778 0.80 HRH3 (0.39) ALDH1A1TDP1KMT2AMEN1
SCHEMBL27746939 0.80
SCHEMBL3387923 0.79 ALDH1A1 (0.42) GLAALDH1A1KDM4EKEAP1SMN1; SMN2
SCHEMBL743985 0.78 KDM4E (0.39) GLAALDH1A1KDM4EKEAP1SMN1; SMN2
SCHEMBL271825 0.78 HRH3 (0.42) ALDH1A1KDM4ESMN1; SMN2NPC1TSHR
SCHEMBL28110383 0.78 HRH3 (0.42) ALDH1A1KDM4ESMN1; SMN2NPC1TSHR
SCHEMBL5946047 0.77 ALDH1A1 (0.37) ALDH1A1KDM4EKMT2AMEN1
Hydrochloric Acid SCHEMBL27699271 0.77 HRH3 (0.41) ALDH1A1SMN1; SMN2KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2758051-B1 CYANOMETHYLPYRAZOLE CARBOXAMIDES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME (US) 2018-04-11 EP claimed
EP-2758389-B1 PYRAZOLE CARBOXAMIDES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME (US) 2017-06-07 EP claimed
US-9487494-B2 Cyclic hydrocarbon compounds for the treatment of diseases LEO PHARMA A/S (DK) 2016-11-08 US claimed
US-9394282-B2 Pyrazole carboxamides as Janus kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2016-07-19 US claimed
US-9328099-B2 Cyanomethylpyrazole carboxamides as janus kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2016-05-03 US claimed
US-20140235641-A1 PYRAZOLE CARBOXAMIDES AS JANUS KINASE INHIBITORS INTERVET INC. 2014-08-21 US claimed
US-20140228348-A1 CYANOMETHYLPYRAZOLE CARBOXAMIDES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME LLC 2014-08-14 US claimed
US-8735584-B2 Protein kinase inhibitors and use thereof MERCK PATENT GMBH (DE) 2014-05-27 US claimed
EP-2254889-B1 PROTEIN KINASE INHIBITORS AND USE THEREOF MERCK PATENT GMBH (DE) 2012-12-19 EP claimed
US-8283357-B2 Cycloalkylcarbamate benzamide aniline HDAC inhibitor compounds GILEAD SCIENCES, INC. (US) 2012-10-09 US claimed
US-7297816-B2 Sulfonamide compounds JANSSEN PHARMACEUTICA N.V. (BE) 2007-11-20 US claimed
EP-1797083-A1 SULFONAMIDE COMPOUNDS Janssen Pharmaceutica, N.V. (BE) 2007-06-20 EP claimed
WO-2006036670-A1 SULFONAMIDE COMPOUNDS JANSSEN PHARMACEUTICA, N.V. (BE) 2006-04-06 WO claimed
US-20060069286-A1 Sulfonamide compounds JANSSEN PHARMACEUTICA, N.V. (BE) 2006-03-30 US claimed
EP-1575947-A1 2-OXOPYRIDIN-3-YL THIA(DI)AZOLE DERIVATIVES FOR USE IN THE TREATMENT OF CELL PROLIFERATION AND APOPTOSIS RELATED DISEASES Amgen Inc. (US) 2005-09-21 EP claimed
US-20040147561-A1 Pyrid-2-one derivatives and methods of use SYNGENTA CROP PROTECTION AG (CH) 2004-07-29 US claimed
WO-2004060890-A1 2-OXOPYRIDIN-3-YL THIA (DI) AZOLE DERIVATES FOR USE IN THE TREATMENT OF CELL PROLIFERATION AND APOPTOSIS RELATED DISEASES AMGEN INC. (US) 2004-07-22 WO claimed
US-6329338-B1 CYCLIC OLIGOPEPTIDE TETRAESTES MEIJI SEIKA KAISHA, LTD. (JP) 2001-12-11 US claimed
EP-0903347-A1 NOVEL CYCLIC DEPSIPEPTIDE PF1022 DERIVATIVES MEIJI SEIKA KAISHA LTD. (JP) 1999-03-24 EP claimed
EP-0483667-B1 Cyclic imino derivatives, process for their preparation and drugs containing them THOMAE GMBH DR K (DE) 1998-02-04 EP claimed

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-20140228348-A1 CYANOMETHYLPYRAZOLE CARBOXAMIDES AS JANUS KINASE INHIBITORS JAK1, JAK2, JAK3 GLA 4671/4885ALDH1A1 1995/4885KDM4E 396/4885
US-20040147561-A1 Pyrid-2-one derivatives and methods of use PLPBP, PNPO, PDXK GLA 880/4885ALDH1A1 481/4885KDM4E 2467/4885
US-20140235641-A1 PYRAZOLE CARBOXAMIDES AS JANUS KINASE INHIBITORS JAK1, JAK3, JAK2 GLA 4732/4885ALDH1A1 1387/4885KDM4E 629/4885
US-20060069286-A1 Sulfonamide compounds CCKAR, CCKBR, TAS1R2 GLA 4675/4885ALDH1A1 2749/4885KDM4E 3780/4885

“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.