SCHEMBL6426286

SCHEMBL6426286

COc1c(C(=O)NCc2ccccn2)ccc2[nH]nc(/C=C/c3ccc(F)cc3)c12

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.43
ALDH1A1 P00352 6/20 0.43
HPGD P15428 5/20 0.43
MAPK10 P53779 1/20 0.43
HSD17B10 Q99714 1/20 0.43
JAK1 P23458 1/20 0.42
TYK2 P29597 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
RAB9A P51151 2/20 0.40
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
NPC1 O15118 1/20 0.40
PDE10A Q9Y233 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39

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
SCHEMBL6426371 0.92 RAB9A (0.42) ALDH1A1L3MBTL1RAB9AHTTNPC1
SCHEMBL6427146 0.91 JAK1 (0.45) KDM4EALDH1A1HPGDMAPK10HSD17B10
SCHEMBL13927765 0.90 ALDH1A1 (0.48) KDM4EALDH1A1HPGDJAK1TYK2
SCHEMBL6427155 0.90 ALDH1A1 (0.48) KDM4EALDH1A1HPGDMAPK10HSD17B10
SCHEMBL6427309 0.89 KDM4E (0.44) KDM4EALDH1A1HPGDMAPK10HSD17B10
SCHEMBL4148835 0.88 TP53 (0.46) KDM4EALDH1A1HPGDKMT2AL3MBTL1
SCHEMBL4148832 0.88 TP53 (0.46) KDM4EALDH1A1HPGDKMT2AL3MBTL1
SCHEMBL4152208 0.87 MAPT (0.45) KDM4EKMT2AL3MBTL1LMNAPDE10A
SCHEMBL4152203 0.87 MAPT (0.45) KDM4EKMT2AL3MBTL1LMNAPDE10A
SCHEMBL4145935 0.86 LMNA (0.42) KDM4EALDH1A1HPGDMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 KDM4E 2795/4885ALDH1A1 2713/4885HPGD 2100/4885

“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.