SCHEMBL5168319

SCHEMBL5168319

CC(=O)N(c1c(-c2ccco2)nc2cc(C)cc(C)n12)C1CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.40
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
HSD17B10 Q99714 4/20 0.40
ALOX15 P16050 3/20 0.40
BLM P54132 3/20 0.40
HPGD P15428 3/20 0.40
RAB9A P51151 4/20 0.38
PKM P14618 3/20 0.38
NPC1 O15118 2/20 0.38
ALDH1A1 P00352 5/20 0.38
LMNA P02545 2/20 0.37
PTPN7 P35236 5/20 0.37
MAPK1 P28482 3/20 0.36
POLB P06746 3/20 0.36
CASP1 P29466 2/20 0.36
RECQL P46063 2/20 0.36
CASP7 P55210 2/20 0.36
CACNA1B Q00975 2/20 0.36
APBA1 Q02410 2/20 0.36

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
SCHEMBL5165780 0.86 PKM (0.38) MAPTRAB9APKMNPC1ALDH1A1
SCHEMBL5164712 0.85 MAPT (0.44) MAPTMEN1KMT2AHSD17B10ALOX15
SCHEMBL5168250 0.84 RAB9A (0.37) MAPTMEN1KMT2AHPGDRAB9A
SCHEMBL5166990 0.82 RAB9A (0.35) MAPTMEN1KMT2AHPGDRAB9A
SCHEMBL5168253 0.82 RAB9A (0.33) MAPTKMT2ARAB9APKMNPC1
SCHEMBL5168739 0.82 ALDH1A1 (0.43) MAPTMEN1KMT2ARAB9APKM
SCHEMBL5168103 0.81 LMNA (0.42) MAPTKMT2AHSD17B10HPGDRAB9A
SCHEMBL5165659 0.81 PABPC1 (0.41) MAPTMEN1KMT2ARAB9APKM
SCHEMBL6752184 0.80 RAB9A (0.34) KMT2ARAB9APKMNPC1LMNA
SCHEMBL5166530 0.79 GAA (0.40) MAPTMEN1KMT2AHPGDPKM

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 MAPT 203/4885MEN1 60/4885KMT2A 2977/4885

“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.