SCHEMBL4141209

SCHEMBL4141209

CCCCNC(=O)COC(=O)c1ccc2c(c(C=Cc3ccc(F)cc3)nn2C(N)=O)c1OC

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.39
KMT2A Q03164 2/20 0.39
POLB P06746 2/20 0.39
THRB P10828 1/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.36
KDM4E B2RXH2 3/20 0.36
PKM P14618 1/20 0.33
NPC1 O15118 1/20 0.33
HSD17B10 Q99714 2/20 0.33
TSHR P16473 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.32
USP2 O75604 1/20 0.32

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
SCHEMBL4145457 0.95 POLB (0.40) CYP1A2CYP2C19KMT2APOLBKDM4E
SCHEMBL4145987 0.92 POLB (0.37) CYP1A2CYP2C19KMT2APOLBHPGD
SCHEMBL4150253 0.89 POLB (0.44) CYP1A2CYP2C19KMT2APOLBHPGD
SCHEMBL4148222 0.87 CTSL (0.32) KMT2APOLBPKMMEN1LMNA
SCHEMBL4139709 0.85 ATM (0.40) KMT2APOLBKDM4EPKMALDH1A1
SCHEMBL4153621 0.84 ALDH1A1 (0.33) CYP1A2CYP2C19KMT2AHPGDKDM4E
SCHEMBL4157511 0.84 ATM (0.44) KMT2AKDM4EALDH1A1MEN1LMNA
SCHEMBL4146151 0.84 ATM (0.42) KMT2AKDM4EPKMALDH1A1MEN1
SCHEMBL4144229 0.84 MEN1 (0.32) CYP1A2CYP2C19KMT2APOLBHPGD
SCHEMBL4157489 0.83 ATM (0.44) KMT2AHPGDKDM4EALDH1A1MEN1

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 CYP1A2 318/4885CYP2C19 1141/4885KMT2A 810/4885
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B CYP1A2 424/4885CYP2C19 1926/4885KMT2A 741/4885

“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.