SCHEMBL993141

SCHEMBL993141

CC(C)(C)CNC(=O)CN

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CACNA1H O95180 1/20 0.35
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
RECQL P46063 1/20 0.33
SMYD3 Q9H7B4 1/20 0.33
BCHE P06276 1/20 0.33
MAPK1 P28482 1/20 0.33
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
MMP2 P08253 1/20 0.32
LMNA P02545 1/20 0.31
FUCA1 P04066 1/20 0.31
AOC3 Q16853 2/20 0.31
GLRA1 P23415 1/20 0.30
SLC6A9 P48067 1/20 0.30
OR51E2 Q9H255 1/20 0.30
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL25890917 0.91 TERT (0.36) CACNA1HCYP1A2CYP3A4RECQLSMYD3
SCHEMBL21708194 0.91 TERT (0.36) CACNA1HCYP1A2CYP3A4RECQLSMYD3
SCHEMBL19170403 0.83 PIK3CD (0.38) CYP1A2CYP3A4RECQLSMYD3MAPK1
SCHEMBL24125969 0.82 CA1 (0.34) CYP1A2CYP3A4RECQLCA1CA2
Hydrochloric Acid SCHEMBL19136761 0.81 PIK3CD (0.36) CYP1A2CYP3A4RECQLSMYD3MAPK1
SCHEMBL26324598 0.81 CACNA1H (0.33) CACNA1HCYP1A2CYP3A4RECQLSMYD3
SCHEMBL23341003 0.81 CYP1A2 (0.32) CYP1A2CYP3A4RECQLSMYD3MAPK1
SCHEMBL14902252 0.80 CACNA1H (0.35) CACNA1HBCHELMNAKDM4E
SCHEMBL18293043 0.79 CA1 (0.34) CA1CA2MMP2AOC3GLRA1
SCHEMBL13333612 0.78 CACNA1H (0.41) CACNA1HRECQLBCHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2454257-A1 PYRROLOPYRIDINE INHIBITORS OF KINASES Abbott Laboratories (US) 2012-05-23 EP claimed
WO-2011008915-A1 PYRROLOPYRIDINE INHIBITORS OF KINASES ABBOTT LABORATORIES (US) 2011-01-20 WO claimed
EP-1888546-A1 THIAZOLE DERIVATIVES AND USE THEREOF LABORATOIRES SERONO S.A. (CH) 2008-02-20 EP claimed
WO-2006125805-A1 THIAZOLE DERIVATIVES AND USE THEREOF LABORATOIRES SERONO S.A. (CH) 2006-11-30 WO claimed
EP-0759066-A1 PROCESS FOR OBTAINING MICRO-ORGANISMS CONTAINING PEPTIDE AMIDASE, MICRO-ORGANISMS OBTAINED THEREWITH, PEPTIDE AMIDASES CONTAINED IN THEM AND USE THEREOF Degussa Aktiengesellschaft (DE) 1997-02-26 EP claimed
WO-1995030740-A1 PROCESS FOR OBTAINING MICRO-ORGANISMS CONTAINING PEPTIDE AMIDASE, MICRO-ORGANISMS OBTAINED THEREWITH, PEPTIDE AMIDASES CONTAINED IN THEM AND USE THEREOF DEGUSSA AKTIENGESELLSCHAFT (DE) 1995-11-16 WO claimed
US-20230365511-A1 Antiviral Pyrazolopiridinone Compounds NOVARTIS AG (CH) 2023-11-16 US disclosed
US-20230365511-A1 Antiviral Pyrazolopiridinone Compounds NOVARTIS AG (CH) 2023-11-16 US disclosed
EP-3513821-A1 MATERIAL FOR BLOOD PURIFICATION Toray Industries, Inc. (JP) 2019-07-24 EP disclosed
EP-1888546-B1 THIAZOLE DERIVATIVES AND USE THEREOF MERCK SERONO SA (CH) 2015-07-08 EP disclosed
EP-1888546-B1 THIAZOLE DERIVATIVES AND USE THEREOF MERCK SERONO SA (CH) 2015-07-08 EP disclosed
EP-2454257-A1 PYRROLOPYRIDINE INHIBITORS OF KINASES Abbott Laboratories (US) 2012-05-23 EP disclosed
US-8008335-B2 Indole and benzimidazole derivatives NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2011-08-30 US disclosed
EP-1888546-A1 THIAZOLE DERIVATIVES AND USE THEREOF LABORATOIRES SERONO S.A. (CH) 2008-02-20 EP disclosed
WO-2006125805-A1 THIAZOLE DERIVATIVES AND USE THEREOF LABORATOIRES SERONO S.A. (CH) 2006-11-30 WO disclosed
US-6949658-B2 Process for producing optically active α-amino acid and optically active α-amino acid amide MITSUBISHI RAYON CO., LTD. (JP) 2005-09-27 US disclosed
US-20030171597-A1 Process for producing optically active alpha-amino acid and optically active alpha-amino acid amine MITSUBISHI RAYON CO., LTD. (JP) 2003-09-11 US disclosed
EP-1300392-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE ALPHA-AMINO ACID AND OPTICALLY ACTIVE ALPHA-AMINO ACID AMIDE Mitsubishi Rayon Co., Ltd. (JP) 2003-04-09 EP disclosed
EP-0759066-A1 PROCESS FOR OBTAINING MICRO-ORGANISMS CONTAINING PEPTIDE AMIDASE, MICRO-ORGANISMS OBTAINED THEREWITH, PEPTIDE AMIDASES CONTAINED IN THEM AND USE THEREOF Degussa Aktiengesellschaft (DE) 1997-02-26 EP disclosed
WO-1995030740-A1 PROCESS FOR OBTAINING MICRO-ORGANISMS CONTAINING PEPTIDE AMIDASE, MICRO-ORGANISMS OBTAINED THEREWITH, PEPTIDE AMIDASES CONTAINED IN THEM AND USE THEREOF DEGUSSA AKTIENGESELLSCHAFT (DE) 1995-11-16 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 (2 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-20030171597-A1 Process for producing optically active alpha-amino acid and optically active alpha-amino acid amine AADAT, BCAT1, BCAT2 CACNA1H 1704/4885CYP1A2 1627/4885CYP3A4 2612/4885
US-20230365511-A1 Antiviral Pyrazolopiridinone Compounds ZC3HAV1, ZC3HAV1L, RPL35 CACNA1H 3820/4885CYP1A2 840/4885CYP3A4 92/4885

“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.