SCHEMBL460799

SCHEMBL460799

Cc1nnc(-c2cccc(F)c2)s1

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.65
CCNC P24863 1/20 0.50
CDK8 P49336 1/20 0.50
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
ALDH1A1 P00352 2/20 0.47
GAA P10253 3/20 0.47
MGAM O43451 1/20 0.47
SI P14410 1/20 0.47
MGAM2 Q2M2H8 1/20 0.47
TRPM8 Q7Z2W7 7/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
DCTPP1 Q9H773 1/20 0.46
HSD17B1 P14061 1/20 0.46
ADORA3 P0DMS8 1/20 0.46
ALOX15 P16050 1/20 0.46
TSHR P16473 1/20 0.46
HRH3 Q9Y5N1 1/20 0.45

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
SCHEMBL14873462 0.83 HSD17B1 (0.55) KDM4EMEN1KMT2AALDH1A1GAA
SCHEMBL12971 0.81 ALDH1A1 (0.69) KDM4EMEN1KMT2AALDH1A1NPC1
SCHEMBL3831380 0.80 KDM4E (0.67) KDM4ECCNCCDK8MEN1KMT2A
SCHEMBL8047555 0.79 KDM4E (0.65) KDM4ECCNCCDK8MEN1KMT2A
SCHEMBL3829254 0.79 KDM4E (1.00) KDM4EMEN1KMT2AALDH1A1GAA
SCHEMBL2221168 0.79 ALDH1A1 (0.47) KDM4EMEN1KMT2AALDH1A1GAA
SCHEMBL29431736 0.79 HSD17B1 (0.76) MEN1KMT2AALDH1A1RAB9AHSD17B1
SCHEMBL16636791 0.79 ALDH1A1 (0.56) KDM4EMEN1KMT2AALDH1A1GAA
SCHEMBL2288997 0.79 ALDH1A1 (0.47) KDM4EMEN1KMT2AALDH1A1GAA
SCHEMBL14970084 0.77 NPC1 (0.50) KDM4EMEN1KMT2AALDH1A1NPC1

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-20120022075-A1 NOVEL PHENYLPYRROLE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-01-26 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-20120022075-A1 NOVEL PHENYLPYRROLE DERIVATIVE GCKR, GCK, SLC5A1 KDM4E 2858/4885CCNC 3597/4885CDK8 1614/4885

“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.