SCHEMBL3823722

SCHEMBL3823722

Cc1ccc(-c2onc(C)c2C(N)=O)cn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.51
GABRA1 P14867 4/20 0.42
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.39
KMT2A Q03164 1/20 0.39
NPC1 O15118 1/20 0.38
MAPT P10636 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
BACE1 P56817 1/20 0.38
BRD4 O60885 2/20 0.38
MKNK1 Q9BUB5 1/20 0.36
MKNK2 Q9HBH9 1/20 0.36
PTGS2 P35354 1/20 0.35
ADRA2A P08913 2/20 0.35
ADRA2B P18089 2/20 0.35
ADRA2C P18825 2/20 0.35
TSHR P16473 1/20 0.35
HDAC1 Q13547 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
HTT P42858 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
SCHEMBL5533717 0.78 KMT2A (0.58) POLBMEN1GAAKMT2AMAPT
SCHEMBL3829385 0.73 POLB (0.51) POLBMEN1GAAKMT2ANPC1
SCHEMBL3820285 0.73 PRMT5 (0.36) GABRA1NPC1BRD4PTGS2HDAC1
SCHEMBL2761580 0.72 NAPRT (0.42) POLBMEN1KMT2ANPC1MAPT
SCHEMBL3829788 0.71 POLB (0.58) POLBMEN1GAAKMT2ANPC1
SCHEMBL15903366 0.70 MYC (0.43) GAAKMT2ANPC1MKNK1MKNK2
SCHEMBL2761325 0.70 HTT (0.51) POLBMEN1KMT2ANPC1MAPT
SCHEMBL3822749 0.68 POLB (1.00) POLBMEN1GAAKMT2ANPC1
SCHEMBL30576270 0.68 HSD17B10 (0.62) POLBMEN1GAAKMT2ATSHR
SCHEMBL15280716 0.67 RAB9A (0.52) POLBMEN1GAAKMT2ANPC1

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 2667/4885GABRA1 3408/4885MEN1 3728/4885

“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.