SCHEMBL6936602

SCHEMBL6936602

O=c1cc(-c2ccncc2)[nH]c(=S)[nH]1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS2R38 P59533 1/20 0.68
ALDH1A1 P00352 1/20 0.58
HDAC8 Q9BY41 1/20 0.55
CDC7 O00311 8/20 0.49
GSK3B P49841 4/20 0.45
PKN1 Q16512 2/20 0.44
PKN2 Q16513 2/20 0.44
CDK9 P50750 2/20 0.44
MPO P05164 1/20 0.44
PLK4 O00444 1/20 0.44
MAPK13 O15264 1/20 0.44
DAPK3 O43293 1/20 0.44
DYRK3 O43781 1/20 0.44
ROCK2 O75116 1/20 0.44
RPS6KA5 O75582 1/20 0.44
RPS6KA4 O75676 1/20 0.44
PRKD3 O94806 1/20 0.44
CHEK2 O96017 1/20 0.44
CDK1 P06493 1/20 0.44
PRKACA P17612 1/20 0.44

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
SCHEMBL1006272 0.81 TAS2R38 (1.00) TAS2R38ALDH1A1CDC7MPOMAPK1
SCHEMBL11733408 0.78 TAS2R38 (0.68) TAS2R38ALDH1A1MPOCDK1MAPK1
SCHEMBL20332635 0.74 ALDH1A1 (0.62) TAS2R38ALDH1A1MPOLPOPTGS1
SCHEMBL2994925 0.72 MAPT (0.63) ALDH1A1CDC7GSK3BPKN1PKN2
SCHEMBL15568639 0.71 HDAC8 (1.00) ALDH1A1HDAC8CDC7GSK3BMAPK1
SCHEMBL28600777 0.70 TAS2R38 (0.57) TAS2R38ALDH1A1GSK3BMPOCDK1
SCHEMBL21563922 0.68 CDC7 (0.47) CDC7GSK3BPKN1PKN2CDK9
SCHEMBL17548487 0.68 TAS2R38 (0.54) TAS2R38ALDH1A1GSK3BMPOCDK1
SCHEMBL11226843 0.67 NOTUM (0.67) HDAC8CDC7GSK3BPKN1PKN2
SCHEMBL5377577 0.67 CDC7 (0.49) ALDH1A1CDC7GSK3BPKN1PKN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1328277-C Substituted pyrimidinone and pyridinone compounds and their use AMGEN INC (US) 2007-07-25 CN disclosed
US-6649604-B2 Analgesics; antidiabetic agents; antiinflamamtory agents AMGEN INC. 2003-11-18 US disclosed
US-20030073704-A1 Substituted pyridone compounds and methods of use AMGEN INC. 2003-04-17 US disclosed
US-6420385-B1 INFLAMMATORY, PAIN AND DIABETES DISEASES, AMGEN INC. 2002-07-16 US disclosed
US-6096753-A Substituted pyrimidinone and pyridone compounds and methods of use AMGEN INC. (US) 2000-08-01 US disclosed
CN-1246857-A Substituted pyrimidinone and pyridinone compounds and their use AMGEN INC (US) 2000-03-08 CN disclosed
EP-0948496-A2 SUBSTITUTED PYRIMIDINONE AND PYRIDONE COMPOUNDS AND METHODS OF USE Amgen inc. (US) 1999-10-13 EP disclosed
WO-1998024780-A2 SUBSTITUTED PYRIMIDINONE AND PYRIDINONE COMPOUNDS AND THEIR USE AMGEN INC. (US) 1998-06-11 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 (1 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-20030073704-A1 Substituted pyridone compounds and methods of use IL6, IL1B, IL1A TAS2R38 2190/4885ALDH1A1 348/4885HDAC8 1528/4885

“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.