SCHEMBL6748602

SCHEMBL6748602

COC(=O)CNc1c(C)nc2cc(C)ccn12

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.49
ALDH1A1 P00352 4/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
HSD17B10 Q99714 1/20 0.49
LMNA P02545 2/20 0.48
TSHR P16473 1/20 0.48
GAA P10253 4/20 0.44
POLB P06746 1/20 0.44
MAPT P10636 2/20 0.42
HTT P42858 1/20 0.42
TRPA1 O75762 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
BRD4 O60885 1/20 0.41
CREBBP Q92793 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
GFER P55789 1/20 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
SCHEMBL2987905 0.81 GAA (0.62) KDM4EALDH1A1SMN1; SMN2HSD17B10LMNA
SCHEMBL6645321 0.79 GAA (0.55) KDM4EALDH1A1SMN1; SMN2HSD17B10LMNA
SCHEMBL27492081 0.74 ALDH1A1 (0.51) KDM4EALDH1A1SMN1; SMN2HSD17B10LMNA
SCHEMBL28842726 0.74 ALDH1A1 (0.60) KDM4EALDH1A1SMN1; SMN2HSD17B10LMNA
SCHEMBL5167958 0.73 ALDH1A1 (0.45) KDM4EALDH1A1SMN1; SMN2HSD17B10LMNA
SCHEMBL6651873 0.70 GAA (0.64) KDM4EALDH1A1SMN1; SMN2LMNATSHR
SCHEMBL19723588 0.70 GAA (0.68) KDM4EALDH1A1SMN1; SMN2HSD17B10LMNA
SCHEMBL1768201 0.69 RAB9A (0.69) KDM4EALDH1A1SMN1; SMN2HSD17B10LMNA
SCHEMBL1768162 0.68 SMN1; SMN2 (0.61) KDM4EALDH1A1SMN1; SMN2HSD17B10LMNA
SCHEMBL6112657 0.68 KMT2A (0.64) KDM4EALDH1A1SMN1; SMN2HSD17B10LMNA

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 KDM4E 3834/4885ALDH1A1 3066/4885SMN1; SMN2 59/4885

“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.