SCHEMBL6754103

SCHEMBL6754103

COC(=O)CNc1c(C2CCCCC2)nc2cc(C)cc(C)n12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.39
CREBBP Q92793 2/20 0.37
TRPA1 O75762 1/20 0.35
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
HSD17B10 Q99714 1/20 0.35
NPC1 O15118 1/20 0.35
GAA P10253 1/20 0.35
RAB9A P51151 1/20 0.35
GFER P55789 1/20 0.35
PTGDR2 Q9Y5Y4 3/20 0.33
PTGDR Q13258 1/20 0.33
POLB P06746 2/20 0.33
CYP2C19 P33261 1/20 0.33
EPHX2 P34913 1/20 0.33
HPGD P15428 1/20 0.32
ATM Q13315 1/20 0.32
NR1I2 O75469 1/20 0.32
KDM4B O94953 1/20 0.32
CHRM1 P11229 1/20 0.32

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
SCHEMBL5167594 0.79 ATM (0.37) KMT2ACREBBPKDM4EALDH1A1NPC1
SCHEMBL6754105 0.76 GAA (0.57) KMT2ACREBBPTRPA1KDM4EALDH1A1
SCHEMBL5166137 0.76 ALDH1A1 (0.49) KDM4EALDH1A1GAARAB9AGFER
SCHEMBL6651475 0.75 CREBBP (0.40) KMT2ACREBBPKDM4EALDH1A1GAA
SCHEMBL5167260 0.74 CREBBP (0.32) CREBBPALDH1A1
SCHEMBL5169227 0.73 CREBBP (0.56) KMT2ACREBBPKDM4EALDH1A1GAA
SCHEMBL6642530 0.70 ALDH1A1 (0.42) KMT2ATRPA1KDM4EALDH1A1HSD17B10
SCHEMBL7083318 0.70 PSMB5 (0.38) KMT2ACREBBPKDM4EALDH1A1NPC1
SCHEMBL5168426 0.67 KMT2A (0.34) KMT2AKDM4ENR1I2KDM4BCHRM1
SCHEMBL5166897 0.66 KMT2A (0.34) KMT2ACREBBPNR1I2KDM4BCHRM1

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 KMT2A 2977/4885CREBBP 1065/4885TRPA1 467/4885

“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.