SCHEMBL5167601

SCHEMBL5167601

Cc1ccc(-c2nc3cc(C)ccn3c2NC(C)(C)CC(C)(C)C)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.61
POLB P06746 3/20 0.61
TP53 P04637 2/20 0.61
ALOX5 P09917 1/20 0.56
CREBBP Q92793 1/20 0.55
BACE1 P56817 1/20 0.52
GAA P10253 7/20 0.50
ALDH1A1 P00352 5/20 0.50
GFER P55789 3/20 0.50
IDO1 P14902 2/20 0.50
KMT2A Q03164 2/20 0.50
MEN1 O00255 1/20 0.50
KDM4E B2RXH2 3/20 0.49
SMN1; SMN2 Q16637 4/20 0.48
PKM P14618 1/20 0.47
PKLR P30613 1/20 0.47
LMNA P02545 1/20 0.46
HPGD P15428 1/20 0.44
HTT P42858 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL5167274 0.91 GAA (0.57) MAPTPOLBTP53ALOX5CREBBP
SCHEMBL5166471 0.86 GAA (0.61) MAPTPOLBTP53ALOX5CREBBP
SCHEMBL4491484 0.85 GAA (0.61) MAPTPOLBTP53ALOX5CREBBP
SCHEMBL4489327 0.85 MAPT (0.48) MAPTPOLBTP53ALOX5CREBBP
Hydrochloric Acid SCHEMBL4493657 0.84 MAPT (0.47) MAPTPOLBTP53ALOX5CREBBP
SCHEMBL5165197 0.84 GAA (0.50) MAPTPOLBTP53CREBBPBACE1
SCHEMBL5164491 0.84 GAA (0.61) MAPTPOLBTP53CREBBPBACE1
Hydrochloric Acid SCHEMBL4503797 0.84 GAA (0.60) MAPTPOLBTP53ALOX5CREBBP
SCHEMBL5166871 0.83 ALDH1A1 (0.50) MAPTPOLBTP53ALOX5CREBBP
SCHEMBL5166632 0.82 GAA (0.49) MAPTPOLBTP53CREBBPBACE1

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 MAPT 203/4885POLB 710/4885TP53 3796/4885

“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.