SCHEMBL682228

SCHEMBL682228

CC(C)c1ccc2nc(N)cnc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.49
RAB9A P51151 4/20 0.49
SCN4A P35499 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
ALDH1A1 P00352 4/20 0.43
MEN1 O00255 3/20 0.43
MAPT P10636 3/20 0.43
KMT2A Q03164 3/20 0.43
KDM4E B2RXH2 2/20 0.43
TP53 P04637 2/20 0.43
HSD17B10 Q99714 1/20 0.43
GAA P10253 2/20 0.40
HTT P42858 2/20 0.40
ALOX12 P18054 1/20 0.40
HIF1A Q16665 1/20 0.40
SCN10A Q9Y5Y9 1/20 0.39
POLB P06746 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
LMNA P02545 2/20 0.38
ALOX15 P16050 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
SCHEMBL20049295 0.81 NPC1 (0.41) NPC1RAB9ASCN4ASMN1; SMN2ALDH1A1
SCHEMBL13677497 0.81 NPC1 (0.41) NPC1RAB9ASCN4ASMN1; SMN2ALDH1A1
SCHEMBL12938128 0.78 NPC1 (0.50) NPC1RAB9ASCN4ASMN1; SMN2ALDH1A1
SCHEMBL2706284 0.78 NPC1 (0.50) NPC1RAB9ASCN4ASMN1; SMN2ALDH1A1
SCHEMBL21161262 0.77 NPC1 (0.38) NPC1RAB9ASCN4ASMN1; SMN2ALDH1A1
SCHEMBL20049320 0.77 PDE10A (0.43) NPC1RAB9ASCN4ASMN1; SMN2ALDH1A1
SCHEMBL22521431 0.77 BACE1 (0.52) NPC1RAB9ASCN4ASMN1; SMN2ALDH1A1
SCHEMBL6844962 0.77 NCK1 (0.55) NPC1RAB9ASMN1; SMN2ALDH1A1MEN1
SCHEMBL7727165 0.76 NPC1 (0.47) NPC1RAB9ASCN4ASMN1; SMN2ALDH1A1
SCHEMBL13310573 0.76 OGA (0.41) NPC1RAB9ASCN4ASMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019053090-A1 DIPHENYL DERIVATIVES AND USES THEREOF NOVARTIS AG (CH) 2019-03-21 WO disclosed
US-20110281866-A1 HETEROCYCLIC KINASE INHIBITORS INTELLIKINE, INC. (US) 2011-11-17 US disclosed
US-20110281866-A1 HETEROCYCLIC KINASE INHIBITORS INTELLIKINE, INC. (US) 2011-11-17 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-20110281866-A1 HETEROCYCLIC KINASE INHIBITORS MAP3K13, MAP3K3, CDK3 NPC1 2953/4885RAB9A 1516/4885SCN4A 2627/4885

“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.