SCHEMBL5029997

SCHEMBL5029997

O=C(NCC1CCCO1)c1ccc2[nH]nc(/C=C/c3cccc(F)c3)c2n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.52
GAA P10253 2/20 0.52
CYP1A2 P05177 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
GSK3B P49841 2/20 0.48
KCNH2 Q12809 1/20 0.48
HTT P42858 1/20 0.48
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
PTPN1 P18031 1/20 0.44
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.43
KDM4E B2RXH2 2/20 0.43
RAB9A P51151 2/20 0.43
LMNA P02545 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 1/20 0.43
HSD17B10 Q99714 1/20 0.43
PSMD14 O00487 1/20 0.43

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
SCHEMBL13927644 0.83 HPGD (0.55) HPGDGAACYP1A2CYP2C9CYP2C19
SCHEMBL13927660 0.82 HPGD (0.52) HPGDGAACYP1A2CYP2C9CYP2C19
SCHEMBL4146553 0.81 DYRK1A (0.43) GSK3BKCNH2
SCHEMBL4146547 0.81 DYRK1A (0.43) GSK3BKCNH2
SCHEMBL5030106 0.79 CHEK1 (0.40)
SCHEMBL14074994 0.78 HPGD (0.48) HPGDGAAHTTKMT2AMEN1
SCHEMBL5029945 0.78 SCN9A (0.42) HPGDKMT2AMEN1POLBKDM4E
SCHEMBL4148339 0.76 CHEK1 (0.47) KMT2AMEN1POLB
SCHEMBL4148344 0.76 CHEK1 (0.47) KMT2AMEN1POLB
SCHEMBL5029962 0.76 LMNA (0.45) GAAHTTKMT2AMEN1POLB

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7429609-B2 Pyrazole compound and medicinal composition containing the same EISAI R & D MANAGEMENT CO., LTD. (JP) 2008-09-30 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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B HPGD 2100/4885GAA 4714/4885CYP1A2 424/4885

“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.