SCHEMBL4149207

SCHEMBL4149207

NC(=O)Cc1nnc(-c2cc(F)c3[nH]nc(C=Cc4ccc(F)cc4)c3c2)[nH]1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
CHEK1 O14757 4/20 0.32
IP6K1 Q92551 1/20 0.32
IP6K3 Q96PC2 1/20 0.32
KDR P35968 3/20 0.32
CCNA2 P20248 1/20 0.32
CDK2 P24941 1/20 0.32
NFE2L2 Q16236 1/20 0.32
HTR2A P28223 2/20 0.32
HTR2C P28335 2/20 0.32
AURKA O14965 2/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GLA P06280 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL4149200 1.00 MAOA (0.33) MAOAMAOBCHEK1IP6K1IP6K3
SCHEMBL4150476 0.88 KDM4E (0.34) CHEK1IP6K1IP6K3KDRCCNA2
SCHEMBL4150470 0.88 KDM4E (0.34) CHEK1IP6K1IP6K3KDRCCNA2
SCHEMBL4149531 0.87 KDM4E (0.33) CHEK1IP6K1IP6K3CCNA2CDK2
SCHEMBL4149537 0.87 KDM4E (0.33) CHEK1IP6K1IP6K3CCNA2CDK2
SCHEMBL4146657 0.84 KDM4E (0.35) CHEK1IP6K1IP6K3KDRCCNA2
SCHEMBL4146661 0.84 KDM4E (0.35) CHEK1IP6K1IP6K3KDRCCNA2
SCHEMBL4144332 0.83 KDM4E (0.31) CHEK1IP6K1IP6K3KDM4EMEN1
SCHEMBL4144338 0.83 KDM4E (0.31) CHEK1IP6K1IP6K3KDM4EMEN1
SCHEMBL4159252 0.83 CHEK1 (0.34) CHEK1IP6K1IP6K3KDRCCNA2

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 MAOA 2221/4885MAOB 1861/4885CHEK1 952/4885
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B MAOA 2624/4885MAOB 2177/4885CHEK1 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.