SCHEMBL4137263

SCHEMBL4137263

Fc1ccc(C=Cc2n[nH]c3c(F)cc(-c4nnc[nH]4)cc23)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IP6K1 Q92551 1/20 0.37
IP6K3 Q96PC2 1/20 0.37
CHEK1 O14757 11/20 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
GAA P10253 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 3/20 0.32
CCNA2 P20248 3/20 0.32
CCND1 P24385 3/20 0.32
CDK2 P24941 3/20 0.32
CCND3 P30281 3/20 0.32
CDK1 P06493 2/20 0.32
NFE2L2 Q16236 2/20 0.31
MAPKAPK2 P49137 1/20 0.30

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
SCHEMBL4137260 1.00 IP6K1 (0.37) IP6K1IP6K3CHEK1KDM4EMEN1
SCHEMBL4146657 0.82 KDM4E (0.35) IP6K1IP6K3CHEK1KDM4EMEN1
SCHEMBL4149662 0.82 KDM4E (0.37) IP6K1IP6K3CHEK1KDM4EMEN1
SCHEMBL4149664 0.82 KDM4E (0.37) IP6K1IP6K3CHEK1KDM4EMEN1
SCHEMBL4146661 0.82 KDM4E (0.35) IP6K1IP6K3CHEK1KDM4EMEN1
SCHEMBL4146371 0.81 KDM4E (0.34) IP6K1IP6K3CHEK1KDM4EMEN1
SCHEMBL4159254 0.81 CHEK1 (0.34) IP6K1IP6K3CHEK1KDM4EMEN1
SCHEMBL4159252 0.81 CHEK1 (0.34) IP6K1IP6K3CHEK1KDM4EMEN1
SCHEMBL4146375 0.81 KDM4E (0.34) IP6K1IP6K3CHEK1KDM4EMEN1
SCHEMBL4150470 0.80 KDM4E (0.34) IP6K1IP6K3CHEK1KDM4EMEN1

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 IP6K1 1834/4885IP6K3 1272/4885CHEK1 952/4885
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B IP6K1 1908/4885IP6K3 1286/4885CHEK1 657/4885

“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.