SCHEMBL3779529

SCHEMBL3779529

Cc1cc(NC(=O)c2cn3cc(N(C)C)ccc3n2)sn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.42
RAB9A P51151 8/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
PKM P14618 4/20 0.42
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 2/20 0.42
POLB P06746 1/20 0.42
ALOX15 P16050 1/20 0.41
RIPK1 Q13546 1/20 0.40
SMARCA2 P51531 1/20 0.39
SMARCA4 P51532 1/20 0.39
MAPT P10636 4/20 0.39
MAPK1 P28482 3/20 0.39
HTR2C P28335 2/20 0.39
LMNA P02545 2/20 0.39
RECQL P46063 2/20 0.39
CYP2C9 P11712 2/20 0.39
TP53 P04637 2/20 0.39
MEN1 O00255 1/20 0.39
CYP1A2 P05177 1/20 0.39

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
SCHEMBL3768038 0.79 LCK (0.49) NPC1RAB9ASMN1; SMN2PKMALDH1A1
SCHEMBL3771091 0.79 NPC1 (0.41) NPC1RAB9ASMN1; SMN2PKMALDH1A1
SCHEMBL3779252 0.78 NPC1 (0.68) NPC1RAB9ASMN1; SMN2PKMALDH1A1
SCHEMBL3766242 0.77 ALDH1A1 (0.44) NPC1RAB9ASMN1; SMN2PKMALDH1A1
SCHEMBL3371180 0.77 KCNK3 (0.53) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL3766225 0.77 GRM5 (0.56) NPC1RAB9ASMN1; SMN2POLBMAPT
SCHEMBL3779223 0.77 NR4A2 (0.50) CYP2C9EGLN1NR4A2
SCHEMBL3777070 0.76 KDM4E (0.54) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL3774161 0.76 SORT1 (0.49) NPC1RAB9ASMN1; SMN2PKMPOLB
SCHEMBL3365520 0.76 NPC1 (0.65) NPC1RAB9ASMN1; SMN2PKMALDH1A1

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 1443/4885SMN1; SMN2 260/4885

“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.