SCHEMBL6426065

SCHEMBL6426065

COc1cc(/C=C/c2n[nH]c3ccc(C(=O)NCc4cnccn4)c(OC)c23)ccc1F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.37
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 3/20 0.36
HPGD P15428 2/20 0.36
BACE1 P56817 2/20 0.36
BRD9 Q9H8M2 1/20 0.36
ROCK2 O75116 2/20 0.35
ROCK1 Q13464 2/20 0.35
SPR P35270 1/20 0.35
JAK1 P23458 1/20 0.35
TYK2 P29597 1/20 0.35
MAPK1 P28482 2/20 0.34
CYP3A4 P08684 2/20 0.34
POLB P06746 1/20 0.34
CHEK1 O14757 1/20 0.34
TUBB1 Q9H4B7 1/20 0.34
MEN1 O00255 1/20 0.33
PKM P14618 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL6426893 0.94 TUBB1 (0.39) HPGDSKDM4EALDH1A1HPGDBRD9
SCHEMBL13927767 0.94 HPGDS (0.38) HPGDSKDM4EALDH1A1HPGDBRD9
SCHEMBL6428814 0.93 KDM4E (0.43) HPGDSKDM4EALDH1A1HPGDBRD9
SCHEMBL5031205 0.92 HPGDS (0.37) HPGDSKDM4EALDH1A1BRD9ROCK2
SCHEMBL6427155 0.90 ALDH1A1 (0.48) KDM4EALDH1A1HPGDROCK2ROCK1
SCHEMBL6425768 0.88 ALDH1A1 (0.49) KDM4EALDH1A1HPGDROCK2ROCK1
SCHEMBL6425792 0.87 HPGDS (0.44) HPGDSKDM4EALDH1A1HPGDSPR
SCHEMBL6426121 0.85 HPGDS (0.39) HPGDSKDM4EALDH1A1BRD9ROCK2
SCHEMBL4146743 0.85 HPGD (0.44) KDM4EALDH1A1HPGDMAPK1POLB
SCHEMBL4146748 0.85 HPGD (0.44) KDM4EALDH1A1HPGDMAPK1POLB

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 3 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
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-11-24 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 (2 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 HPGDS 3246/4885KDM4E 2622/4885ALDH1A1 2731/4885
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B HPGDS 3567/4885KDM4E 2795/4885ALDH1A1 2713/4885

“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.