SCHEMBL2216038

SCHEMBL2216038

Cc1cnc(NC(=O)c2cnc(C)cn2)cn1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 9/20 0.59
RAB9A P51151 9/20 0.59
SMN1; SMN2 Q16637 9/20 0.59
ALDH1A1 P00352 7/20 0.59
GAA P10253 1/20 0.59
KDM4E B2RXH2 2/20 0.58
L3MBTL1 Q9Y468 2/20 0.58
POLB P06746 1/20 0.58
BLM P54132 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
MAPT P10636 5/20 0.56
LMNA P02545 1/20 0.56
TP53 P04637 1/20 0.52
NFKB1 P19838 1/20 0.52
NFKB2 Q00653 1/20 0.52
RELA Q04206 1/20 0.52
MAPK8 P45983 1/20 0.52
MAPK10 P53779 1/20 0.52
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51

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
SCHEMBL30354768 0.84 NPC1 (0.48) NPC1RAB9ASMN1; SMN2ALDH1A1GAA
SCHEMBL25432810 0.84 NPC1 (0.48) NPC1RAB9ASMN1; SMN2ALDH1A1GAA
SCHEMBL30354783 0.82 NPC1 (0.54) NPC1RAB9ASMN1; SMN2ALDH1A1GAA
SCHEMBL25383195 0.82 NPC1 (0.54) NPC1RAB9ASMN1; SMN2ALDH1A1GAA
SCHEMBL30354853 0.82 GAA (0.56) NPC1RAB9ASMN1; SMN2ALDH1A1GAA
SCHEMBL2220506 0.82 NPC1 (0.52) NPC1RAB9ASMN1; SMN2ALDH1A1GAA
SCHEMBL25383306 0.81 MAPK8 (0.50) NPC1RAB9ASMN1; SMN2ALDH1A1GAA
SCHEMBL30354965 0.81 MAPK8 (0.50) NPC1RAB9ASMN1; SMN2ALDH1A1GAA
SCHEMBL8661158 0.80 MAPT (0.58) NPC1RAB9ASMN1; SMN2ALDH1A1GAA
SCHEMBL321546 0.80 NOTUM (0.50) NPC1RAB9ASMN1; SMN2ALDH1A1GAA

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
US-20110177612-A1 Human G Protein-Coupled Receptors and Modulators Thereof for the Treatment of Metabolic-Related Disorders ARENA PHARMACEUTICALS, INC. 2011-07-21 US disclosed
US-7829298-B2 Human G protein-coupled receptors for metabolic-related disorders ARENA PHARMACEUTICALS, INC. (US) 2010-11-09 US disclosed
US-20080139628-A1 Compositions For Treating Flushing And Lipid-Associated Disorders Comprising Niacin Receptor Partial Agonists ARENA PHARMACEUTICALS, INC. (US) 2008-06-12 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-20080139628-A1 Compositions For Treating Flushing And Lipid-Associated Disorders Comprising Niacin Receptor Partial Agonists FFAR1, FFAR2, FFAR3 NPC1 106/4885RAB9A 2083/4885SMN1; SMN2 4460/4885

“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.