SCHEMBL13927768

SCHEMBL13927768

COc1c(C(=O)NCc2cccnc2)ccc2[nH]nc(/C=C/c3ccc(F)cc3F)c12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.47
RECQL P46063 1/20 0.45
ALDH1A1 P00352 6/20 0.44
MEN1 O00255 1/20 0.44
PKM P14618 1/20 0.44
KMT2A Q03164 1/20 0.44
MAPK1 P28482 2/20 0.44
LMNA P02545 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 2/20 0.43
TSHR P16473 1/20 0.43
BLM P54132 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
CYP2C19 P33261 1/20 0.43
POLB P06746 2/20 0.42
HPGD P15428 2/20 0.42
MAPT P10636 1/20 0.41
USP2 O75604 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL4152478 0.91 TP53 (0.43) KDM4EALDH1A1KMT2AMAPK1LMNA
SCHEMBL4152476 0.91 TP53 (0.43) KDM4EALDH1A1KMT2AMAPK1LMNA
SCHEMBL6428413 0.89 THRB (0.46) KDM4ERECQLALDH1A1MEN1PKM
SCHEMBL6426121 0.88 HPGDS (0.39) KDM4EALDH1A1MAPK1
SCHEMBL6427073 0.87 RECQL (0.46) KDM4ERECQLALDH1A1KMT2AMAPK1
SCHEMBL6427827 0.86 MAPK1 (0.39) MAPK1LMNAMAPTTDP1
SCHEMBL6425768 0.85 ALDH1A1 (0.49) KDM4ERECQLALDH1A1MEN1KMT2A
SCHEMBL13927766 0.85 CYP1A2 (0.49) KDM4ERECQLALDH1A1MEN1KMT2A
SCHEMBL6427309 0.85 KDM4E (0.44) KDM4EALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL6426235 0.85 HPGD (0.45) KDM4EALDH1A1MEN1KMT2AMAPK1

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 KDM4E 2622/4885RECQL 3696/4885ALDH1A1 2731/4885

“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.