SCHEMBL5166799

SCHEMBL5166799

COC(=O)CN(C(C)=O)c1c(-c2ccccc2)nc2cc(C)ccn12

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.54
NPC1 O15118 1/20 0.54
CGAS Q8N884 1/20 0.51
MAPT P10636 2/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
GAA P10253 2/20 0.46
TP53 P04637 1/20 0.46
PKM P14618 1/20 0.44
PKLR P30613 1/20 0.44
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 3/20 0.43
HSD17B10 Q99714 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40

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
SCHEMBL5167958 0.85 ALDH1A1 (0.45) RAB9ANPC1MAPTSMN1; SMN2GAA
SCHEMBL5166788 0.78 ALDH1A1 (0.41) MAPTSMN1; SMN2GAATP53KDM4E
SCHEMBL5166493 0.76 KDM4E (0.45) RAB9ANPC1MAPTGAATP53
SCHEMBL5167387 0.72 GAA (0.42) MAPTSMN1; SMN2GAATP53KDM4E
SCHEMBL28396885 0.72 RAB9A (0.62) RAB9ANPC1CGASMAPTSMN1; SMN2
SCHEMBL7833938 0.71 CGAS (0.76) RAB9ANPC1CGASMAPTSMN1; SMN2
SCHEMBL8910901 0.71 NPC1 (1.00) RAB9ANPC1CGASMAPTSMN1; SMN2
SCHEMBL19723743 0.70 NPC1 (0.66) RAB9ANPC1CGASMAPTSMN1; SMN2
SCHEMBL5165987 0.69 ALOX5 (0.40) RAB9ANPC1CGASMAPTSMN1; SMN2
SCHEMBL5165992 0.69 ALOX5 (0.40) RAB9ANPC1CGASMAPTSMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040023972-A1 Use of substituted imidazo[1,2-a]-pyridin-, -pyrimidin-and-pyrazin-3-yl-amine derivatives in the preparation of medicaments for inhibiting NOS GRUENENTHAL GMBH (DE) 2004-02-05 US claimed
EP-1326613-B2 USE OF SUBSTITUTED IMIDAZO 1,2-A|PYRIDINE-, IMIDAZO ¬1,2-A|PYRIMIDINE AND IMIDAZO ¬1,2-A|PYRAZINE-3-YL-AMINE DERIVATIVES FOR PRODUCING NOS-INHIBITING MEDICAMENTS GRUENENTHAL GMBH (DE) 2007-04-18 EP disclosed
EP-1326613-B1 USE OF SUBSTITUTED IMIDAZO 1,2-A]PYRIDINE-, IMIDAZO [1,2-A]PYRIMIDINE AND IMIDAZO [1,2-A]PYRAZINE-3-YL-AMINE DERIVATIVES FOR PRODUCING NOS-INHIBITING MEDICAMENTS GRUENENTHAL GMBH (DE) 2004-06-02 EP disclosed
US-20040023972-A1 Use of substituted imidazo[1,2-a]-pyridin-, -pyrimidin-and-pyrazin-3-yl-amine derivatives in the preparation of medicaments for inhibiting NOS GRUENENTHAL GMBH (DE) 2004-02-05 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-20040023972-A1 Use of substituted imidazo[1,2-a]-pyridin-, -pyrimidin-and-pyrazin-3-yl-amine derivatives in the preparation of medicaments for inhibiting NOS NOS1, PTGIS, NOS2 RAB9A 4697/4885NPC1 450/4885CGAS 267/4885

“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.