SCHEMBL4157672

SCHEMBL4157672

Fc1ccc(/C=C/c2n[nH]c3c(F)cc(C4=NCCCN4)cc23)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 7/20 0.36
GAA P10253 2/20 0.36
TSHR P16473 1/20 0.36
CHEK1 O14757 5/20 0.34
PRMT1 Q99873 3/20 0.34
TOP2A P11388 2/20 0.34
TOP2B Q02880 2/20 0.34
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GLA P06280 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CDK4 P11802 2/20 0.33
CCNA2 P20248 2/20 0.33
CCND1 P24385 2/20 0.33
CDK2 P24941 2/20 0.33
CCND3 P30281 2/20 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
SCHEMBL4157679 1.00 NISCH (0.36) NISCHGAATSHRCHEK1PRMT1
SCHEMBL4151938 0.94 NISCH (0.44) NISCHGAACHEK1PRMT1KDM4E
SCHEMBL4151933 0.94 NISCH (0.44) NISCHGAACHEK1PRMT1KDM4E
SCHEMBL4137446 0.81 CHEK1 (0.33) GAACHEK1KDM4EMEN1ALDH1A1
SCHEMBL4137450 0.81 CHEK1 (0.33) GAACHEK1KDM4EMEN1ALDH1A1
SCHEMBL4153011 0.79 AURKA (0.41) NISCHCHEK1CDK4CCNA2CCND1
SCHEMBL4153005 0.79 AURKA (0.41) NISCHCHEK1CDK4CCNA2CCND1
SCHEMBL4149508 0.78 MAOA (0.34) CHEK1
SCHEMBL4149514 0.78 MAOA (0.34) CHEK1
SCHEMBL4145828 0.78 NISCH (0.38) NISCHGAACHEK1KDM4EMEN1

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 8 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-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
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 NISCH 3658/4885GAA 4511/4885TSHR 814/4885
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B NISCH 3816/4885GAA 4714/4885TSHR 992/4885

“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.