SCHEMBL4304095

SCHEMBL4304095

CN(C)c1ncc(C#N)cn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.53
ALDH1A1 P00352 6/20 0.46
KDM4E B2RXH2 4/20 0.46
LMNA P02545 3/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
GAA P10253 1/20 0.46
HSD17B10 Q99714 4/20 0.43
ALOX15 P16050 1/20 0.43
EGLN2 Q96KS0 2/20 0.38
HTT P42858 2/20 0.36
CYP1A2 P05177 4/20 0.36
CASP1 P29466 2/20 0.36
CASP7 P55210 2/20 0.36
ACACB O00763 1/20 0.35
KCNH2 Q12809 1/20 0.34
CYP3A4 P08684 1/20 0.34
CLK4 Q9HAZ1 1/20 0.34
JAK2 O60674 1/20 0.34
JAK1 P23458 1/20 0.34
JAK3 P52333 1/20 0.34

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
SCHEMBL568391 0.76 PGR (0.39) GRM5ALDH1A1KDM4ELMNAL3MBTL1
SCHEMBL4637329 0.76 ALDH1A1 (0.40) GRM5ALDH1A1KDM4ELMNAL3MBTL1
SCHEMBL1421235 0.72
SCHEMBL2566482 0.72 ALDH1A1 (0.38) GRM5ALDH1A1KDM4ELMNAL3MBTL1
SCHEMBL165008 0.71 ALDH1A1 (0.46) GRM5ALDH1A1KDM4ELMNAL3MBTL1
SCHEMBL13037671 0.71 KDM4E (0.56) ALDH1A1KDM4ELMNAL3MBTL1GAA
SCHEMBL3778779 0.69
SCHEMBL3673998 0.69 KDM4E (0.54) ALDH1A1KDM4ELMNAL3MBTL1GAA
SCHEMBL3129653 0.69 HSD17B10 (0.50) GRM5ALDH1A1KDM4ELMNAHSD17B10
SCHEMBL2955079 0.69 ALDH1A1 (0.39) ALDH1A1KDM4ELMNAL3MBTL1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7723522-B2 Pyridine derivative production method FUJIFILM FINECHEMICALS CO., LTD (JP) 2010-05-25 US disclosed
US-20090270363-A1 2-Aryl- and 2-Heteroarylthiazolyl Compounds, Methods for Their Preparation and Use Thereof WYETH (US) 2009-10-29 US disclosed
US-20090270363-A1 2-Aryl- and 2-Heteroarylthiazolyl Compounds, Methods for Their Preparation and Use Thereof WYETH (US) 2009-10-29 US disclosed
US-20090270363-A1 2-Aryl- and 2-Heteroarylthiazolyl Compounds, Methods for Their Preparation and Use Thereof WYETH (US) 2009-10-29 US disclosed
WO-2009120826-A1 2-ARYL- AND 2-HETEROARYLTHIAZOLYL COMPOUNDS, METHODS FOR THEIR PREPARATION AND USE THEREOF WYETH (US) 2009-10-01 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-20090270363-A1 2-Aryl- and 2-Heteroarylthiazolyl Compounds, Methods for Their Preparation and Use Thereof SEC63, SEC62, SEC22B GRM5 4608/4885ALDH1A1 2705/4885KDM4E 3799/4885

“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.