SCHEMBL5167461

SCHEMBL5167461

Cc1ccn2c(NC(C)(C)CC(C)(C)C)c(-c3cccnc3)nc2n1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.46
GAA P10253 13/20 0.44
POLB P06746 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
ALDH1A1 P00352 2/20 0.44
GFER P55789 1/20 0.44
TP53 P04637 3/20 0.41
MAPT P10636 2/20 0.41
KDM4E B2RXH2 5/20 0.40
HTT P42858 1/20 0.40
MAPK1 P28482 2/20 0.40
CYP2A6 P11509 1/20 0.39
NR1H4 Q96RI1 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.36
LMNA P02545 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
PABPC1 P11940 1/20 0.35

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
SCHEMBL5164491 0.82 GAA (0.61) IDO1GAAPOLBMEN1KMT2A
SCHEMBL997742 0.80 GAA (0.59) IDO1GAAPOLBMEN1KMT2A
SCHEMBL5167392 0.77 GAA (0.43) IDO1GAAPOLBMEN1KMT2A
Hydrochloric Acid SCHEMBL5168041 0.76 GAA (0.43) IDO1GAAPOLBMEN1KMT2A
SCHEMBL6279944 0.76 IDO1 (0.43) IDO1GAAPOLBMEN1KMT2A
SCHEMBL5167944 0.73 CREBBP (0.66) GAAPOLBMEN1KMT2AALDH1A1
SCHEMBL6644372 0.72 BRD4 (0.58) IDO1GAAMEN1KMT2AALDH1A1
SCHEMBL6644593 0.69 GAA (0.66) IDO1GAAPOLBMEN1KMT2A
SCHEMBL5127895 0.69 GAA (0.54) IDO1GAAPOLBMEN1KMT2A
SCHEMBL6650055 0.68 GAA (0.67) GAAMEN1KMT2AALDH1A1GFER

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 6 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-A1 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 Grünenthal GmbH (DE) 2003-07-16 EP claimed
WO-2002030428-A1 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 Grünenthal GmbH (DE) 2002-04-18 WO 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 IDO1 31/4885GAA 536/4885POLB 710/4885

“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.