SCHEMBL3829385

SCHEMBL3829385

Cc1noc(-c2ccnc(Cl)c2)c1C(N)=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.51
CCNC P24863 2/20 0.46
CDK8 P49336 2/20 0.46
NPC1 O15118 2/20 0.39
MAPT P10636 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
BACE1 P56817 1/20 0.39
NTRK1 P04629 1/20 0.38
PIM1 P11309 1/20 0.38
ACVR1 Q04771 1/20 0.38
TSHR P16473 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
S1PR1 P21453 1/20 0.37
GAA P10253 4/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
HSD17B10 Q99714 1/20 0.36
SMARCA2 P51531 1/20 0.36
SMARCA4 P51532 1/20 0.36
ALDH1A1 P00352 3/20 0.36

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
SCHEMBL3823273 0.88 CCNC (0.38) POLBCCNCCDK8NPC1MAPT
SCHEMBL3825841 0.82 ALDH1A1 (0.56) POLBNPC1MAPTNPSR1TSHR
SCHEMBL4029412 0.77 MAPT (0.50) CCNCCDK8MAPTL3MBTL1S1PR1
SCHEMBL5533717 0.75 KMT2A (0.58) POLBMAPTNTRK1PIM1GAA
SCHEMBL3829697 0.75 RECQL (0.42) CCNCCDK8S1PR1MEN1KMT2A
SCHEMBL3821410 0.75 LOX (0.42) CCNCCDK8S1PR1SMARCA2SMARCA4
SCHEMBL3823722 0.73 POLB (0.51) POLBNPC1MAPTNPSR1BACE1
SCHEMBL3822024 0.73 S1PR1 (0.39) CCNCCDK8L3MBTL1S1PR1ALDH1A1
SCHEMBL30576270 0.70 HSD17B10 (0.62) POLBTSHRGAAMEN1KMT2A
SCHEMBL583542 0.69 BRD4 (0.51) TSHRLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2096111-A1 PYRAZOLES AND USE THEREOF AS DRUGS Japan Tobacco Inc. (JP) 2009-09-02 EP claimed
US-20090036450-A1 PYRAZOLE COMPOUNDS AND USE THEREOF JAPAN TOBACCO, INC. (JP) 2009-02-05 US claimed
EP-2096111-A1 PYRAZOLES AND USE THEREOF AS DRUGS Japan Tobacco Inc. (JP) 2009-09-02 EP disclosed
US-20090036450-A1 PYRAZOLE COMPOUNDS AND USE THEREOF JAPAN TOBACCO, INC. (JP) 2009-02-05 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 (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-20090036450-A1 PYRAZOLE COMPOUNDS AND USE THEREOF PYGL, GYS2, G6PC1 POLB 2667/4885CCNC 2893/4885CDK8 1418/4885

“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.