SCHEMBL6754105

SCHEMBL6754105

COC(=O)CNc1c(-c2ccccc2)nc2cc(C)cc(C)n12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 6/20 0.57
NPC1 O15118 3/20 0.57
RAB9A P51151 3/20 0.57
GFER P55789 1/20 0.57
ALDH1A1 P00352 6/20 0.49
HPGD P15428 4/20 0.49
TRPA1 O75762 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
CREBBP Q92793 2/20 0.47
KDM4E B2RXH2 5/20 0.45
HSD17B10 Q99714 3/20 0.45
TSHR P16473 3/20 0.45
PKM P14618 3/20 0.42
PKLR P30613 2/20 0.42
MAPT P10636 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
TP53 P04637 2/20 0.41

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
SCHEMBL5167598 0.79 CREBBP (0.46) GAANPC1RAB9AALDH1A1CREBBP
SCHEMBL6754103 0.76 KMT2A (0.39) GAANPC1RAB9AGFERALDH1A1
SCHEMBL22780031 0.76 GAA (0.71) GAANPC1RAB9AGFERALDH1A1
SCHEMBL6651479 0.74 CREBBP (0.57) GAAGFERALDH1A1TRPA1CREBBP
SCHEMBL5169235 0.72 CREBBP (0.76) GAAGFERALDH1A1CREBBPKDM4E
SCHEMBL22774397 0.72 TP53 (0.55) GAANPC1RAB9AGFERALDH1A1
SCHEMBL5166144 0.70 ADORA1 (0.57) GAAGFERALDH1A1KDM4EMAPT
SCHEMBL29870907 0.69 ALDH1A1 (0.85) GAANPC1RAB9AGFERALDH1A1
SCHEMBL6642533 0.69 ALDH1A1 (0.65) GAANPC1RAB9AGFERALDH1A1
SCHEMBL2987905 0.68 GAA (0.62) GAANPC1RAB9AGFERALDH1A1

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-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
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 GAA 536/4885NPC1 450/4885RAB9A 4697/4885

“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.