SCHEMBL4477248

SCHEMBL4477248

CSc1ccccc1CNC(=O)OC(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 1/20 0.49
KDM4A O75164 1/20 0.48
LMNA P02545 4/20 0.48
ALDH1A1 P00352 1/20 0.46
MAPT P10636 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CHRM2 P08172 1/20 0.44
IDO1 P14902 1/20 0.43
NAMPT P43490 2/20 0.43
HDAC10 Q969S8 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA7 P43166 1/20 0.42
CA14 Q9ULX7 1/20 0.42
NQO2 P16083 1/20 0.41
KMT2A Q03164 2/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
MALT1 Q9UDY8 1/20 0.40

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
SCHEMBL30159605 0.86 KCNA5 (0.56) KCNA5KDM4ALMNAL3MBTL1IDO1
SCHEMBL8018113 0.86 KCNA5 (0.56) KCNA5KDM4ALMNAL3MBTL1IDO1
SCHEMBL4717946 0.86 NQO2 (0.54) KCNA5LMNAALDH1A1MAPTL3MBTL1
SCHEMBL7363894 0.82 KCNA5 (0.45) KCNA5KDM4ALMNAIDO1NAMPT
SCHEMBL1017338 0.81 KCNA5 (0.47) KCNA5KDM4ALMNAALDH1A1IDO1
SCHEMBL1399350 0.81 KCNA5 (0.44) KCNA5KDM4ALMNAMAPTIDO1
SCHEMBL2523967 0.81 DDR1 (0.46) KCNA5KDM4ALMNAIDO1GAA
SCHEMBL6874894 0.80 KCNA5 (0.52) KCNA5KDM4ALMNAL3MBTL1IDO1
SCHEMBL5792738 0.80 KCNA5 (0.52) KCNA5KDM4ALMNAMAPTIDO1
SCHEMBL30454240 0.80 KCNA5 (0.52) KCNA5KDM4ALMNAL3MBTL1IDO1

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7601714-B2 Pyrimidine derivatives useful as inhibitors of PKC-theta BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-10-13 US disclosed
US-20080287410-A1 PYRIMIDINE DERIVATIVES USEFUL AS INHIBITORS OF PKC-THETA BARBOSA ANTONIO J M 2008-11-20 US disclosed
US-20070197522-A1 Dpp-iv inhibitors SANTHERA PHARMACEUTICALS (SCHWEIZ) GMBH (CH) 2007-08-23 US disclosed
US-20070197522-A1 Dpp-iv inhibitors SANTHERA PHARMACEUTICALS (SCHWEIZ) GMBH (CH) 2007-08-23 US disclosed
US-20070197522-A1 Dpp-iv inhibitors SANTHERA PHARMACEUTICALS (SCHWEIZ) GMBH (CH) 2007-08-23 US disclosed
EP-1765791-A1 PYRIMIDINE DERIVATIVES USEFUL AS INHIBITORS OF PKC-THETA BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2007-03-28 EP disclosed
EP-1758861-A1 DPP-IV INHIBITORS Santhera Pharmaceuticals (Schweiz) AG (CH) 2007-03-07 EP disclosed
WO-2006014482-A1 PYRIMIDINE DERIVATIVES USEFUL AS INHIBITORS OF PKC-THETA BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2006-02-09 WO disclosed
US-20060025433-A1 Pyrimidine derivatives useful as inhibitors of PKC-theta BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2006-02-02 US disclosed
WO-2005095343-A1 DPP-IV INHIBITORS SANTHERA PHARMACEUTICALS (SCHWEIZ) GMBH (CH) 2005-10-13 WO disclosed
WO-2005095343-A1 DPP-IV INHIBITORS SANTHERA PHARMACEUTICALS (SCHWEIZ) GMBH (CH) 2005-10-13 WO disclosed
EP-1259506-A1 PYRAZINONE THROMBIN INHIBITORS Merck & Co., Inc. (US) 2002-11-27 EP disclosed
US-6387911-B1 Pyrazinone thrombin inhibitors MERCK & CO., INC. 2002-05-14 US disclosed
WO-2001038323-A1 PYRAZINONE THROMBIN INHIBITORS MERCK & CO., INC. (US) 2001-05-31 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 (3 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-20080287410-A1 PYRIMIDINE DERIVATIVES USEFUL AS INHIBITORS OF PKC-THETA PRKCZ, PRKCQ, PRKCH KCNA5 2473/4885KDM4A 3186/4885LMNA 2186/4885
US-20070197522-A1 Dpp-iv inhibitors DPP7, DPP4, DPP3 KCNA5 904/4885KDM4A 1534/4885LMNA 3964/4885
US-20060025433-A1 Pyrimidine derivatives useful as inhibitors of PKC-theta PRKCZ, PRKCQ, PRKCH KCNA5 2473/4885KDM4A 3186/4885LMNA 2186/4885

“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.