Sugi Predict

Sugi Predict / Compounds / SCHEMBL5168360

SCHEMBL5168360

SCHEMBL5168360

CC(=O)N(c1c(-c2ccc(C(=O)O)o2)nc2cc(C)ccn12)C(C)(C)CC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 2/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ ALDH1A1 P00352 5/20 0.35
▸ HPGD P15428 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ GAA P10253 5/20 0.35
▸ MAPT P10636 3/20 0.35
▸ CGAS Q8N884 1/20 0.35
▸ SMN1; SMN2 Q16637 4/20 0.33
▸ KDM4E B2RXH2 4/20 0.33
▸ HSD17B10 Q99714 2/20 0.33
▸ TP53 P04637 1/20 0.32
▸ THRB P10828 1/20 0.32
▸ PKM P14618 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ CYP2C19 P33261 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
SCHEMBL5169244 0.89 GAA (0.42) RAB9ANPC1ALDH1A1HPGDMEN1
SCHEMBL5168364 0.86 NPC1 (0.36) RAB9ANPC1ALDH1A1MEN1KMT2A
SCHEMBL5168400 0.86 PKM (0.36) RAB9ANPC1ALDH1A1HPGDMEN1
SCHEMBL5165680 0.85 CREBBP (0.37) ALDH1A1HPGDMEN1KMT2AKDM4E
SCHEMBL5169195 0.84 KDM4E (0.34) RAB9AALDH1A1SMN1; SMN2KDM4EHSD17B10
SCHEMBL5167015 0.83 ALDH1A1 (0.38) RAB9ANPC1ALDH1A1MEN1KMT2A
SCHEMBL5169053 0.83 GAA (0.33) RAB9ANPC1ALDH1A1HPGDMEN1
SCHEMBL5168168 0.83 GAA (0.42) RAB9ANPC1ALDH1A1HPGDMEN1
SCHEMBL5167449 0.81 ALDH1A1 (0.37) RAB9ANPC1ALDH1A1HPGDMEN1
SCHEMBL5164973 0.81 NPC1 (0.42) RAB9ANPC1ALDH1A1HPGDGAA

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 RAB9A 4697/4885NPC1 450/4885ALDH1A1 3066/4885

“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.