Sugi Predict

Sugi Predict / Compounds / SCHEMBL5167634

SCHEMBL5167634

SCHEMBL5167634

CCOc1ccc2ccccc2c1-c1nc2cc(C)ccn2c1N(C(C)=O)C(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ ALOX5 P09917 1/20 0.39
▸ PDE5A O76074 1/20 0.38
▸ CYP26A1 O43174 1/20 0.36
▸ PTGS2 P35354 1/20 0.36
▸ DHFR P00374 1/20 0.36
▸ CGAS Q8N884 1/20 0.35
▸ HCRTR1 O43613 2/20 0.35
▸ HCRTR2 O43614 2/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.34
▸ GAA P10253 2/20 0.34
▸ HTT P42858 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ MITF O75030 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL5166912 0.80 MAPT (0.43) NPC1RAB9ACGASL3MBTL1ALDH1A1
SCHEMBL5168236 0.78 GAA (0.41) NPC1RAB9ACGASL3MBTL1ALDH1A1
SCHEMBL5169244 0.68 GAA (0.42) NPC1RAB9ACGASALDH1A1GAA
SCHEMBL5167015 0.67 ALDH1A1 (0.38) NPC1RAB9ACGASL3MBTL1ALDH1A1
SCHEMBL5165611 0.64 GAA (0.42) NPC1RAB9ACGASALDH1A1GAA
SCHEMBL5168168 0.64 GAA (0.42) NPC1RAB9ACGASL3MBTL1ALDH1A1
SCHEMBL2045141 0.64 ALOX5 (0.65) RAB9AALOX5PTGS2DHFRL3MBTL1
SCHEMBL30142113 0.64 ALOX5 (0.65) RAB9AALOX5PTGS2DHFRL3MBTL1
SCHEMBL5165592 0.63 POLB (0.41) NPC1RAB9ACGASL3MBTL1ALDH1A1
SCHEMBL5168360 0.61 RAB9A (0.36) NPC1RAB9ACGASALDH1A1GAA

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 NPC1 450/4885RAB9A 4697/4885ALOX5 115/4885

“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.