SCHEMBL4137655

SCHEMBL4137655

N#Cc1cc(F)c2[nH]nc(/C=C/c3ccc(F)cc3)c2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTK P33981 1/20 0.46
MAPT P10636 3/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
GLA P06280 2/20 0.36
NPC1 O15118 1/20 0.36
POLB P06746 1/20 0.36
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
KMT2A Q03164 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
AURKB Q96GD4 1/20 0.35
IP6K1 Q92551 1/20 0.35
IP6K3 Q96PC2 1/20 0.35
NFE2L2 Q16236 2/20 0.35
CHEK1 O14757 5/20 0.34
NQO2 P16083 1/20 0.33
P4HB P07237 1/20 0.33
TP53 P04637 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
SCHEMBL4137662 1.00 TTK (0.46) TTKMAPTKDM4EALDH1A1GLA
SCHEMBL4140953 0.86 CHEK1 (0.47) TTKNFE2L2CHEK1NQO2CDK1
SCHEMBL4140952 0.86 CHEK1 (0.47) TTKNFE2L2CHEK1NQO2CDK1
SCHEMBL4139812 0.80 KDM4E (0.38) MAPTKDM4EALDH1A1GLAMEN1
SCHEMBL4153955 0.75 TTK (0.50) TTKAURKBCHEK1CDK1CDK4
SCHEMBL4153963 0.75 TTK (0.50) TTKAURKBCHEK1CDK1CDK4
SCHEMBL4151938 0.74 NISCH (0.44) MAPTKDM4EALDH1A1GLAMEN1
SCHEMBL4151933 0.74 NISCH (0.44) MAPTKDM4EALDH1A1GLAMEN1
SCHEMBL4137263 0.72 IP6K1 (0.37) MAPTKDM4EALDH1A1GLAMEN1
SCHEMBL4146661 0.72 KDM4E (0.35) MAPTKDM4EALDH1A1GLANPC1

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 7 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-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
CN-1656079-A Pyrazole compounds and pharmaceutical compositions containing the same EISAI CO LTD (JP) 2005-08-17 CN 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 TTK 246/4885MAPT 2811/4885KDM4E 2622/4885
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B TTK 240/4885MAPT 3014/4885KDM4E 2795/4885

“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.