SCHEMBL4151938

SCHEMBL4151938

Fc1ccc(C=Cc2n[nH]c3c(F)cc(C4=NCCN4)cc23)cc1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 9/20 0.44
PRMT1 Q99873 4/20 0.40
TDP1 Q9NUW8 2/20 0.37
BLM P54132 1/20 0.37
CHEK1 O14757 1/20 0.35
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GLA P06280 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
L3MBTL1 Q9Y468 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
SCHEMBL4151933 1.00 NISCH (0.44) NISCHPRMT1TDP1BLMCHEK1
SCHEMBL4157679 0.94 NISCH (0.36) NISCHPRMT1TDP1CHEK1KDM4E
SCHEMBL4157672 0.94 NISCH (0.36) NISCHPRMT1TDP1CHEK1KDM4E
SCHEMBL4137446 0.82 CHEK1 (0.33) TDP1CHEK1KDM4EMEN1ALDH1A1
SCHEMBL4137450 0.82 CHEK1 (0.33) TDP1CHEK1KDM4EMEN1ALDH1A1
SCHEMBL4145838 0.80 NISCH (0.38) NISCHTDP1CHEK1KDM4EMEN1
SCHEMBL4145828 0.80 NISCH (0.38) NISCHTDP1CHEK1KDM4EMEN1
SCHEMBL4149267 0.78 NISCH (0.41) NISCHPRMT1CHEK1
SCHEMBL4149269 0.78 NISCH (0.41) NISCHPRMT1CHEK1
SCHEMBL4156139 0.78 ALK (0.34) TDP1CHEK1KDM4EMEN1ALDH1A1

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 NISCH 3658/4885PRMT1 622/4885TDP1 4520/4885
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B NISCH 3816/4885PRMT1 493/4885TDP1 4458/4885

“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.