SCHEMBL4477933

SCHEMBL4477933

CC(C)Oc1ncccc1CN

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC13A5 Q86YT5 1/20 0.49
LIPG Q9Y5X9 1/20 0.43
ALOX5AP P20292 2/20 0.40
FEN1 P39748 2/20 0.40
DPP4 P27487 1/20 0.39
SLC6A2 P23975 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
LRRK2 Q5S007 1/20 0.37
FFAR4 Q5NUL3 3/20 0.37
POLB P06746 1/20 0.37
JAK3 P52333 1/20 0.36
TRPM8 Q7Z2W7 1/20 0.36
HCRTR1 O43613 1/20 0.35
HCRTR2 O43614 1/20 0.35
LOXL2 Q9Y4K0 1/20 0.34
CARM1 Q86X55 2/20 0.34
PRMT6 Q96LA8 2/20 0.34
AOC1 P19801 1/20 0.33
AOC3 Q16853 1/20 0.33

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
SCHEMBL30912121 1.00 SLC13A5 (0.49) SLC13A5LIPGALOX5APFEN1DPP4
SCHEMBL13361871 0.84 SLC13A5 (0.53) SLC13A5LIPGALOX5APFEN1MEN1
SCHEMBL31475001 0.82 SLC13A5 (0.52) SLC13A5LIPGALOX5APFEN1MEN1
SCHEMBL2894151 0.82 MEN1 (0.55) SLC13A5LIPGALOX5APFEN1MEN1
SCHEMBL29587038 0.79 KDM1A (0.46) SLC13A5DPP4MEN1KMT2ALOXL2
SCHEMBL1265988 0.79 KDM1A (0.46) SLC13A5DPP4MEN1KMT2ALOXL2
SCHEMBL12776099 0.79 SLC13A5 (0.50) SLC13A5LIPGALOX5APFEN1MEN1
Hydrochloric Acid SCHEMBL16797857 0.78 KDM1A (0.44) SLC13A5DPP4MEN1KMT2ALOXL2
SCHEMBL2600005 0.78 SLC13A5 (0.47) SLC13A5DPP4SLC6A2MEN1KMT2A
Hydrochloric Acid SCHEMBL5900832 0.78 KDM1A (0.44) SLC13A5DPP4MEN1KMT2ALOXL2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1884513-A1 PYRAZOLE COMPOUND AND THERAPEUTIC AGENT FOR DIABETES COMPRISING THE SAME Japan Tobacco, Inc. (JP) 2008-02-06 EP claimed
US-20070032529-A1 Pyrazole compounds and their use as antidiabetes agents JAPAN TOBACCO INC. (JP) 2007-02-08 US claimed
US-11993581-B2 Pyridazine compounds for inhibiting Nav1.8 LIEBER INSTITUE, INC (US) 2024-05-28 US disclosed
US-20210139456-A1 PYRIDAZINE COMPOUNDS FOR INHIBITING NAV1.8 LIEBER INSTITUTE, INC 2021-05-13 US disclosed
US-7601714-B2 Pyrimidine derivatives useful as inhibitors of PKC-theta BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-10-13 US disclosed
US-7601714-B2 Pyrimidine derivatives useful as inhibitors of PKC-theta BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-10-13 US disclosed
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-20080287410-A1 PYRIMIDINE DERIVATIVES USEFUL AS INHIBITORS OF PKC-THETA BARBOSA ANTONIO J M 2008-11-20 US disclosed
US-20080287410-A1 PYRIMIDINE DERIVATIVES USEFUL AS INHIBITORS OF PKC-THETA BARBOSA ANTONIO J M 2008-11-20 US disclosed
CN-101208306-A Pyrazole compounds and diabetes therapeutic agent containing the same JAPAN TOBACCO INC (JP) 2008-06-25 CN disclosed
EP-1884513-A1 PYRAZOLE COMPOUND AND THERAPEUTIC AGENT FOR DIABETES COMPRISING THE SAME Japan Tobacco, Inc. (JP) 2008-02-06 EP disclosed
EP-1884513-A1 PYRAZOLE COMPOUND AND THERAPEUTIC AGENT FOR DIABETES COMPRISING THE SAME Japan Tobacco, Inc. (JP) 2008-02-06 EP disclosed
EP-1765791-A1 PYRIMIDINE DERIVATIVES USEFUL AS INHIBITORS OF PKC-THETA BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2007-03-28 EP disclosed
US-20070032529-A1 Pyrazole compounds and their use as antidiabetes agents JAPAN TOBACCO INC. (JP) 2007-02-08 US disclosed
US-20070032529-A1 Pyrazole compounds and their use as antidiabetes agents JAPAN TOBACCO INC. (JP) 2007-02-08 US disclosed
US-20070032529-A1 Pyrazole compounds and their use as antidiabetes agents JAPAN TOBACCO INC. (JP) 2007-02-08 US 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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 SLC13A5 3667/4885LIPG 2187/4885ALOX5AP 2978/4885
US-20210139456-A1 PYRIDAZINE COMPOUNDS FOR INHIBITING NAV1.8 SCN8A, SCN5A, SCN2A SLC13A5 146/4885LIPG 4730/4885ALOX5AP 2874/4885
US-20060025433-A1 Pyrimidine derivatives useful as inhibitors of PKC-theta PRKCZ, PRKCQ, PRKCH SLC13A5 3667/4885LIPG 2187/4885ALOX5AP 2978/4885
US-20070032529-A1 Pyrazole compounds and their use as antidiabetes agents PYGL, GYS2, AGL SLC13A5 1589/4885LIPG 468/4885ALOX5AP 4094/4885
US-11993581-B2 Pyridazine compounds for inhibiting Nav1.8 SCN8A, SCN5A, SCN2A SLC13A5 146/4885LIPG 4730/4885ALOX5AP 2874/4885

“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.