SCHEMBL13927765

SCHEMBL13927765

COc1ccc(/C=C/c2n[nH]c3ccc(C(=O)NCc4ccccn4)c(OC)c23)cc1F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.48
KDM4E B2RXH2 4/20 0.48
HPGD P15428 3/20 0.46
JAK1 P23458 1/20 0.44
TYK2 P29597 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.42
PDE10A Q9Y233 2/20 0.42
MEN1 O00255 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C19 P33261 1/20 0.42
KMT2A Q03164 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
CHEK1 O14757 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
ROCK2 O75116 1/20 0.41
ROCK1 Q13464 1/20 0.41
POLB P06746 1/20 0.41
TLR9 Q9NR96 1/20 0.40
TLR8 Q9NR97 1/20 0.40

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
SCHEMBL6427155 0.94 ALDH1A1 (0.48) ALDH1A1KDM4EHPGDJAK1TYK2
SCHEMBL6427146 0.94 JAK1 (0.45) ALDH1A1KDM4EHPGDJAK1TYK2
SCHEMBL6426893 0.90 TUBB1 (0.39) ALDH1A1KDM4EHPGDJAK1TYK2
SCHEMBL6426286 0.90 KDM4E (0.43) ALDH1A1KDM4EHPGDJAK1TYK2
SCHEMBL4145300 0.89 HPGD (0.50) ALDH1A1KDM4EHPGDSMN1; SMN2MEN1
SCHEMBL4145292 0.89 HPGD (0.50) ALDH1A1KDM4EHPGDSMN1; SMN2MEN1
SCHEMBL6425758 0.87 HPGD (0.47) ALDH1A1KDM4EHPGDSMN1; SMN2MEN1
SCHEMBL13927766 0.85 CYP1A2 (0.49) ALDH1A1KDM4EHPGDSMN1; SMN2PDE10A
SCHEMBL6429431 0.85 TUBB1 (0.39) ALDH1A1KDM4EHPGDSMN1; SMN2CHEK1
SCHEMBL6427309 0.85 KDM4E (0.44) ALDH1A1KDM4EHPGDJAK1TYK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090054397-A1 PYRAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND OHI NORIHITO 2009-02-26 US disclosed
US-20090054397-A1 PYRAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND OHI NORIHITO 2009-02-26 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-20090054397-A1 PYRAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND CNKSR1, NR3C2, CSNK2B ALDH1A1 2731/4885KDM4E 2622/4885HPGD 1849/4885

“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.