SCHEMBL3829567

SCHEMBL3829567

COc1ccc(Cc2nc(C(N)=O)n[nH]2)cc1OC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.49
POLB P06746 2/20 0.48
CCNC P24863 1/20 0.47
CDK8 P49336 1/20 0.47
ALDH1A1 P00352 4/20 0.47
GAA P10253 2/20 0.47
MPI P34949 1/20 0.47
APOBEC3G Q9HC16 1/20 0.47
HPGD P15428 2/20 0.46
KDM4E B2RXH2 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
TSHR P16473 1/20 0.46
CYP2C19 P33261 1/20 0.46
LDHA P00338 1/20 0.43
DHFR P00374 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
ALPL P05186 1/20 0.42
LMNA P02545 1/20 0.42

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
SCHEMBL3829569 0.78 CA2 (0.51) CA2POLBALDH1A1GAAMPI
SCHEMBL24193842 0.76 ALPL (0.48) ALDH1A1ALPL
SCHEMBL23085471 0.76 NR1H2 (0.53) POLBALPL
SCHEMBL25828179 0.74 KLKB1 (0.39) CYP2C9
SCHEMBL3825183 0.73 CA2 (0.51) CA2POLBALDH1A1GAAMPI
SCHEMBL10944802 0.70 ALDH1A1 (0.52) CA2POLBCCNCCDK8ALDH1A1
SCHEMBL17608418 0.69 CYP3A4 (0.56) CA2POLBCCNCCDK8ALDH1A1
SCHEMBL16868190 0.69 PDE2A (0.59) POLBALDH1A1HPGDKDM4E
SCHEMBL2095593 0.69 CA2 (1.00) CA2POLBALDH1A1GAAHPGD
SCHEMBL11293832 0.69 CA2 (0.58) CA2POLBALDH1A1GAAMPI

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 CA2 587/4885POLB 2667/4885CCNC 2893/4885

“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.