SCHEMBL18100968

SCHEMBL18100968

Cc1c(C(F)(F)F)nc2ccccn12

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.50
KDM4E B2RXH2 5/20 0.47
NPC1 O15118 3/20 0.47
MAPT P10636 2/20 0.47
RAB9A P51151 2/20 0.47
ALDH1A1 P00352 6/20 0.47
GAA P10253 3/20 0.47
HPGD P15428 2/20 0.47
GLA P06280 1/20 0.47
CASP1 P29466 1/20 0.47
CASP7 P55210 1/20 0.47
NPSR1 Q6W5P4 3/20 0.43
KMT2A Q03164 2/20 0.42
GRIN2B Q13224 1/20 0.40
ADRA1B P35368 1/20 0.39
MAPK1 P28482 1/20 0.38

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
SCHEMBL6479440 0.84 KDM4E (0.49) HSD17B10KDM4ENPC1MAPTRAB9A
SCHEMBL13377057 0.80 HSD17B10 (0.53) HSD17B10KDM4ENPC1MAPTALDH1A1
SCHEMBL21863415 0.80 HSD17B10 (0.51) HSD17B10KDM4ENPC1MAPTRAB9A
SCHEMBL24654981 0.79 HSD17B10 (0.47) HSD17B10KDM4ENPC1MAPTRAB9A
SCHEMBL10012248 0.79 HSD17B10 (0.50) HSD17B10KDM4ENPC1MAPTRAB9A
SCHEMBL21849003 0.78 HSD17B10 (0.46) HSD17B10KDM4ENPC1MAPTRAB9A
SCHEMBL7976886 0.76 KMT2A (0.63) HSD17B10KDM4ENPC1RAB9AALDH1A1
SCHEMBL13050157 0.75 KDM4E (0.49) HSD17B10KDM4ENPC1MAPTRAB9A
SCHEMBL266148 0.75 KMT2A (0.58) HSD17B10KDM4ENPC1MAPTRAB9A
SCHEMBL3050995 0.75 ALDH1A1 (0.55) HSD17B10KDM4ENPC1MAPTRAB9A

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-20160280685-A1 SUBSTITUTED PYRIDINE AND PYRAZINE BMI-1 INHIBITORS PTC THERAPEUTICS, INC. 2016-09-29 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-20160280685-A1 SUBSTITUTED PYRIDINE AND PYRAZINE BMI-1 INHIBITORS BMI1, BAZ2A, BAZ2B HSD17B10 2940/4885KDM4E 102/4885NPC1 3521/4885

“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.