Sugi Predict

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SCHEMBL5165780

SCHEMBL5165780

CC(=O)N(c1c(-c2ccc(C)o2)nc2cc(C)cc(C)n12)C1CCCCC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 5/20 0.38
▸ LMNA P02545 3/20 0.38
▸ RAB9A P51151 5/20 0.36
▸ NPC1 O15118 4/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ TSHR P16473 2/20 0.36
▸ MAPT P10636 5/20 0.33
▸ GAA P10253 3/20 0.33
▸ TP53 P04637 3/20 0.33
▸ S1PR1 P21453 2/20 0.33
▸ PKLR P30613 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ APAF1 O14727 1/20 0.33
▸ TDP2 O95551 1/20 0.33
▸ S1PR4 O95977 1/20 0.33
▸ HSP90AA1 P07900 1/20 0.33
▸ XBP1 P17861 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ CACNA1B Q00975 1/20 0.33

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
SCHEMBL5168250 0.90 RAB9A (0.37) PKMLMNARAB9ANPC1ALDH1A1
SCHEMBL5168253 0.87 RAB9A (0.33) PKMLMNARAB9ANPC1MAPT
SCHEMBL5166990 0.87 RAB9A (0.35) PKMLMNARAB9ANPC1ALDH1A1
SCHEMBL5168319 0.86 MAPT (0.40) PKMLMNARAB9ANPC1ALDH1A1
SCHEMBL6752184 0.86 RAB9A (0.34) PKMLMNARAB9ANPC1
SCHEMBL5168103 0.81 LMNA (0.42) PKMLMNARAB9ANPC1ALDH1A1
SCHEMBL5168739 0.80 ALDH1A1 (0.43) PKMLMNARAB9ANPC1ALDH1A1
SCHEMBL6645111 0.79 MAPT (0.46) PKMLMNARAB9ANPC1ALDH1A1
SCHEMBL5165659 0.79 PABPC1 (0.41) PKMLMNARAB9ANPC1MAPT
SCHEMBL5168546 0.75 LMNA (0.34) PKMLMNARAB9ANPC1ALDH1A1

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 PKM 571/4885LMNA 802/4885RAB9A 4697/4885

“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.