SCHEMBL20176870

SCHEMBL20176870

Cc1cnc(C(=O)Nc2ccccn2)nc1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 10/20 0.62
RAB9A P51151 10/20 0.62
GRM5 P41594 3/20 0.58
PKM P14618 1/20 0.58
SMN1; SMN2 Q16637 5/20 0.56
KDM4E B2RXH2 2/20 0.56
ALDH1A1 P00352 2/20 0.56
HTT P42858 1/20 0.56
L3MBTL1 Q9Y468 3/20 0.55
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
TP53 P04637 2/20 0.55
NPSR1 Q6W5P4 1/20 0.55
ALOX15 P16050 1/20 0.55
GAA P10253 2/20 0.54
F2 P00734 1/20 0.54
CYP1A2 P05177 1/20 0.53

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
SCHEMBL21579348 0.83 NPC1 (0.62) NPC1RAB9AGRM5PKMSMN1; SMN2
SCHEMBL23771950 0.83 NPC1 (0.57) NPC1RAB9AGRM5PKMSMN1; SMN2
SCHEMBL3689257 0.80 RAB9A (0.83) NPC1RAB9APKMSMN1; SMN2KDM4E
SCHEMBL2815369 0.80 NPC1 (0.71) NPC1RAB9AGRM5PKMSMN1; SMN2
SCHEMBL20176881 0.79 TSHR (0.53) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL27488058 0.78 L3MBTL1 (0.64) NPC1RAB9AGRM5PKMSMN1; SMN2
SCHEMBL15070496 0.78 RAB9A (0.64) NPC1RAB9AGRM5PKMSMN1; SMN2
SCHEMBL9384187 0.77 NPC1 (0.72) NPC1RAB9AGRM5PKMSMN1; SMN2
SCHEMBL13162953 0.77 MEN1 (0.69) NPC1RAB9APKMSMN1; SMN2KDM4E
SCHEMBL8556579 0.76 GRM5 (0.67) NPC1RAB9AGRM5SMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190352276-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE JOINT STOCK COMPANY "BIOCAD" (RU) 2019-11-21 US disclosed
WO-2018092047-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE JOINT STOCK COMPANY "BIOCAD" (RU) 2018-05-24 WO 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-20190352276-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, ABL1, CNKSR1 NPC1 1786/4885RAB9A 895/4885GRM5 3806/4885

“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.