SCHEMBL19798087

SCHEMBL19798087

Cc1c(-c2nc3ccccc3n2C)nc2ccccn12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.51
NPC1 O15118 6/20 0.51
RAB9A P51151 6/20 0.51
MAPT P10636 5/20 0.51
ALDH1A1 P00352 8/20 0.50
GAA P10253 3/20 0.50
RPS6KB1 P23443 1/20 0.49
GSK3B P49841 1/20 0.49
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
PKM P14618 4/20 0.47
TP53 P04637 4/20 0.47
HSD17B10 Q99714 3/20 0.47
ALOX15 P16050 1/20 0.47
SMN1; SMN2 Q16637 5/20 0.46
HPGD P15428 4/20 0.46
LMNA P02545 2/20 0.46
CYP3A4 P08684 1/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44

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
SCHEMBL1171430 0.75 MEN1 (0.69) KDM4ENPC1RAB9AMAPTALDH1A1
SCHEMBL12349885 0.73 NPC1 (0.76) KDM4ENPC1RAB9AMAPTALDH1A1
SCHEMBL839837 0.71 ALDH1A1 (0.62) KDM4ENPC1RAB9AMAPTALDH1A1
SCHEMBL19798088 0.71 KDM4E (0.54) KDM4ENPC1RAB9AMAPTALDH1A1
SCHEMBL14646318 0.70 NPC1 (0.77) KDM4ENPC1RAB9AMAPTALDH1A1
SCHEMBL19314470 0.70 DPP4 (0.66) KDM4ENPC1RAB9AMAPTALDH1A1
SCHEMBL20982597 0.70 ALDH1A1 (0.83) KDM4ENPC1RAB9AMAPTALDH1A1
SCHEMBL17817581 0.69 ALDH1A1 (0.64) KDM4ENPC1RAB9AMAPTALDH1A1
SCHEMBL22627455 0.69 KDM4E (0.69) KDM4ENPC1RAB9AMAPTALDH1A1
SCHEMBL517706 0.69 MEN1 (0.77) KDM4ENPC1RAB9AMAPTALDH1A1

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-20180022760-A1 CONDENSED HETEROCYCLIC COMPOUNDS AND PESTICIDES NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2018-01-25 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-20180022760-A1 CONDENSED HETEROCYCLIC COMPOUNDS AND PESTICIDES HDAC3, CHRM3, NR1D2 KDM4E 3586/4885NPC1 382/4885RAB9A 1132/4885

“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.