SCHEMBL6750698

SCHEMBL6750698

CC(=O)N(c1c(-c2ccc(C(=O)O)s2)nc2ccccn12)C(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RPS6KB2 Q9UBS0 1/20 0.42
PKM P14618 3/20 0.40
MAPT P10636 2/20 0.40
TP53 P04637 1/20 0.40
GAA P10253 1/20 0.40
PKLR P30613 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TOP2A P11388 1/20 0.40
KMT2A Q03164 2/20 0.38
PTGS1 P23219 2/20 0.38
PTGS2 P35354 2/20 0.38
KDM4E B2RXH2 3/20 0.36
HPGD P15428 3/20 0.36
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 1/20 0.36
POLB P06746 1/20 0.36
RAB9A P51151 1/20 0.36
NTRK1 P04629 2/20 0.36
ADRA1B P35368 1/20 0.36
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL5166481 0.89 RPS6KB2 (0.38) RPS6KB2PKMMAPTTP53GAA
SCHEMBL6752274 0.85 MKNK1 (0.39) RPS6KB2PKMMAPTTP53GAA
SCHEMBL5167941 0.85 PKM (0.39) PKMMAPTTP53GAAPKLR
SCHEMBL5165896 0.82 PKM (0.40) RPS6KB2PKMMAPTTP53GAA
SCHEMBL5167216 0.76 HSD17B10 (0.40) PKMTOP2AKMT2APTGS1PTGS2
SCHEMBL5166486 0.75 SMN1; SMN2 (0.35) PKMMAPTTP53GAAPKLR
SCHEMBL5167939 0.74 TOP2A (0.49) RPS6KB2PKMMAPTTP53GAA
SCHEMBL5166367 0.74 GAA (0.56) PKMMAPTTP53GAAPKLR
SCHEMBL5166045 0.73 MAPK13 (0.44) GAATOP2AKMT2AKDM4EHPGD
SCHEMBL5169187 0.72 GAA (0.43) MAPTTP53GAASMN1; SMN2KMT2A

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 RPS6KB2 2895/4885PKM 571/4885MAPT 203/4885

“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.