SCHEMBL3779252

SCHEMBL3779252

Cc1csc(NC(=O)c2cn3cc(N(C)C)ccc3n2)n1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 13/20 0.68
RAB9A P51151 13/20 0.68
POLB P06746 3/20 0.68
KDM4E B2RXH2 3/20 0.68
SMN1; SMN2 Q16637 3/20 0.68
PKM P14618 2/20 0.68
ALDH1A1 P00352 2/20 0.68
MAPT P10636 2/20 0.51
GRM5 P41594 2/20 0.48
CASP3 P42574 2/20 0.48
KMT2A Q03164 2/20 0.48
SENP8 Q96LD8 2/20 0.48
SENP7 Q9BQF6 2/20 0.48
SENP6 Q9GZR1 2/20 0.48
GAA P10253 2/20 0.48
MEN1 O00255 1/20 0.47
HPGD P15428 3/20 0.46
GCK P35557 1/20 0.46
TP53 P04637 1/20 0.45
HTT P42858 1/20 0.45

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
SCHEMBL3780363 0.85 RAB9A (0.50) NPC1RAB9APOLBKDM4ESMN1; SMN2
SCHEMBL3773463 0.84 NPC1 (0.49) NPC1RAB9APOLBKDM4ESMN1; SMN2
SCHEMBL3773489 0.81 RAB9A (0.45) NPC1RAB9APOLBKDM4ESMN1; SMN2
SCHEMBL3768457 0.79 NPC1 (0.45) NPC1RAB9APOLBKDM4ESMN1; SMN2
SCHEMBL3766242 0.78 ALDH1A1 (0.44) NPC1RAB9APOLBKDM4ESMN1; SMN2
SCHEMBL3779529 0.78 NPC1 (0.42) NPC1RAB9APOLBKDM4ESMN1; SMN2
SCHEMBL3768038 0.78 LCK (0.49) NPC1RAB9APOLBKDM4ESMN1; SMN2
SCHEMBL3766225 0.78 GRM5 (0.56) NPC1RAB9APOLBSMN1; SMN2MAPT
SCHEMBL3771091 0.78 NPC1 (0.41) NPC1RAB9APOLBKDM4ESMN1; SMN2
SCHEMBL3365520 0.77 NPC1 (0.65) NPC1RAB9APOLBKDM4ESMN1; SMN2

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-20100317673-A1 N-HETEROCYCLIC-IMIDAZO[1,2-a]PYRIDINE-2-CARBOXAMIDE DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION SANOFI-AVENTIS (FR) 2010-12-16 US claimed
US-20100317673-A1 N-HETEROCYCLIC-IMIDAZO[1,2-a]PYRIDINE-2-CARBOXAMIDE DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION SANOFI-AVENTIS (FR) 2010-12-16 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-20100317673-A1 N-HETEROCYCLIC-IMIDAZO[1,2-a]PYRIDINE-2-CARBOXAMIDE DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION IDH2, GLS, IDH1 NPC1 1267/4885RAB9A 1443/4885POLB 2101/4885

“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.