SCHEMBL4137716

SCHEMBL4137716

C=CCNC(=O)c1ccc2[nH]nc(/C=C/c3ccc(F)cc3)c2c1OC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
PKM P14618 1/20 0.36
KCNA3 P22001 2/20 0.35
MAPT P10636 3/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
ALDH1A1 P00352 2/20 0.35
TP53 P04637 1/20 0.35
GAA P10253 1/20 0.35
POLB P06746 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CHEK1 O14757 1/20 0.35
CCNA2 P20248 1/20 0.35
CDK2 P24941 1/20 0.35
KDR P35968 1/20 0.35
HPGD P15428 3/20 0.34
CYP1A2 P05177 1/20 0.34
DRD2 P14416 1/20 0.34
DRD4 P21917 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
SCHEMBL4137722 1.00 KDM4E (0.39) KDM4ETDP1PKMKCNA3MAPT
SCHEMBL4145411 0.91 KDM4E (0.48) KDM4ETDP1PKMMAPTL3MBTL1
SCHEMBL4145405 0.91 KDM4E (0.48) KDM4ETDP1PKMMAPTL3MBTL1
SCHEMBL4156220 0.90 KDM4E (0.37) KDM4ETDP1PKMKCNA3MAPT
SCHEMBL4156223 0.90 KDM4E (0.37) KDM4ETDP1PKMKCNA3MAPT
SCHEMBL4154054 0.88 BACE1 (0.40) KDM4ETDP1L3MBTL1POLBMEN1
SCHEMBL4161819 0.88 TUBB1 (0.43) KDM4ETDP1CHEK1CCNA2CDK2
SCHEMBL4161815 0.88 TUBB1 (0.43) KDM4ETDP1CHEK1CCNA2CDK2
SCHEMBL4154059 0.88 BACE1 (0.40) KDM4ETDP1L3MBTL1POLBMEN1
SCHEMBL13927848 0.88 DRD3 (0.35) KDM4EKCNA3MAPTPOLBCHEK1

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 5 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-7429609-B2 Pyrazole compound and medicinal composition containing the same EISAI R & D MANAGEMENT CO., LTD. (JP) 2008-09-30 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
US-20050208582-A1 Pyrazole compounds and pharmaceutical compositions comprising the compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-09-22 US disclosed
EP-1510516-A1 PYRAZOLE COMPOUND AND MEDICINAL COMPOSITION CONTAINING THE SAME Eisai Co., Ltd. (JP) 2005-03-02 EP 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 KDM4E 2622/4885TDP1 4520/4885PKM 1426/4885
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B KDM4E 2795/4885TDP1 4458/4885PKM 1733/4885

“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.