SCHEMBL21539005

SCHEMBL21539005

CCc1nc(C)cc(NN)n1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 7/20 0.46
PKM P14618 3/20 0.46
MAPT P10636 3/20 0.44
KMT2A Q03164 3/20 0.44
KDM4E B2RXH2 2/20 0.44
LMNA P02545 1/20 0.39
TLR8 Q9NR97 1/20 0.39
HTT P42858 1/20 0.37
NPC1 O15118 2/20 0.35
ALDH1A1 P00352 3/20 0.34
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
RAB9A P51151 1/20 0.33
NOS3 P29474 1/20 0.32
NOS2 P35228 1/20 0.32
KDM1A O60341 1/20 0.32
PDE4A P27815 1/20 0.32
AGO2 Q9UKV8 1/20 0.32
MEN1 O00255 2/20 0.32
ATM Q13315 1/20 0.32

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
SCHEMBL10648331 0.78 GAA (0.37) GAAPKMMAPTKMT2AKDM4E
SCHEMBL2937637 0.78 HTT (0.48) GAAMAPTKMT2ALMNAHTT
SCHEMBL23129866 0.77 KMT2A (0.36) MAPTKMT2ATLR8HTTNPC1
SCHEMBL12619534 0.77 TRPM8 (0.40) MAPTKMT2ALMNATLR8HTT
SCHEMBL2722102 0.74 PDE4A (0.46) GAAPKMMAPTKMT2AKDM4E
SCHEMBL20618232 0.73 CYP1A2 (0.61) MAPTKMT2AKDM4ELMNAHTT
SCHEMBL11839050 0.72 CYP1A2 (0.56) GAAPKMMAPTKMT2AKDM4E
SCHEMBL18011660 0.72 NOS2 (0.48) MAPTTLR8HTTNPC1RAB9A
SCHEMBL21062839 0.71 GAA (0.46) GAAPKMMAPTKMT2AKDM4E
SCHEMBL9679525 0.71 GAA (0.41) GAAPKMMAPTKMT2AKDM4E

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-20190330164-A1 HYDRAZIDE CONTAINING NUCLEAR TRANSPORT MODULATORS AND USES THEREOF Karyopharm Therapeutics Inc. 2019-10-31 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-20190330164-A1 HYDRAZIDE CONTAINING NUCLEAR TRANSPORT MODULATORS AND USES THEREOF XPO1, KPNA1, ABCB11 GAA 1946/4885PKM 711/4885MAPT 1292/4885

“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.