SCHEMBL5166401

SCHEMBL5166401

CC(=O)N(c1c(-c2sccc2Br)nc2ccccn12)C1CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KLK7 P49862 1/20 0.40
RAB9A P51151 3/20 0.39
NPC1 O15118 2/20 0.39
ATM Q13315 2/20 0.39
RXFP1 Q9HBX9 1/20 0.39
KDM4E B2RXH2 5/20 0.39
ALDH1A1 P00352 3/20 0.39
GAA P10253 1/20 0.39
GFER P55789 1/20 0.39
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
ALOX5 P09917 1/20 0.38
MAPT P10636 2/20 0.38
APAF1 O14727 1/20 0.38
TDP2 O95551 1/20 0.38
S1PR4 O95977 1/20 0.38
HSP90AA1 P07900 1/20 0.38
PKM P14618 1/20 0.38
XBP1 P17861 1/20 0.38
S1PR1 P21453 1/20 0.38

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
SCHEMBL5165825 0.85 RAB9A (0.38) RAB9ANPC1KDM4EALDH1A1GAA
SCHEMBL5167498 0.78 KLK7 (0.44) KLK7RAB9ANPC1ATMRXFP1
SCHEMBL6645111 0.77 MAPT (0.46) KLK7RAB9ANPC1ATMRXFP1
SCHEMBL5165831 0.77 KDM4E (0.47) KLK7RAB9ANPC1ATMRXFP1
SCHEMBL5167506 0.76 KLK7 (0.40) KLK7RAB9ANPC1ATMRXFP1
SCHEMBL6643063 0.73 ALDH1A1 (0.67) RAB9AKDM4EALDH1A1GAAGFER
SCHEMBL5168630 0.72 ALDH1A1 (0.56) RAB9ANPC1ATMKDM4EALDH1A1
SCHEMBL6669045 0.71 RAB9A (0.40) KLK7RAB9ANPC1ATMRXFP1
SCHEMBL5169013 0.71 ALOX5 (0.43) RAB9ANPC1ATMRXFP1KDM4E
Hydrochloric Acid SCHEMBL5166777 0.70 ALOX5 (0.42) RAB9ANPC1ATMRXFP1KDM4E

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 KLK7 4242/4885RAB9A 4697/4885NPC1 450/4885

“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.