SCHEMBL5166834

SCHEMBL5166834

Cc1ccc(-c2nc3cc(C)cc(C)n3c2NC(C)(C)CC(C)(C)C)cc1

nearest known ligand 0.81

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 2/20 0.81
MAPT P10636 7/20 0.56
TP53 P04637 4/20 0.56
POLB P06746 2/20 0.56
IDO1 P14902 2/20 0.42
GAA P10253 5/20 0.41
GFER P55789 1/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
KMT2A Q03164 1/20 0.41
PKM P14618 1/20 0.38
PKLR P30613 1/20 0.38
ALOX5 P09917 1/20 0.37
BRD4 O60885 1/20 0.36
NR1H4 Q96RI1 1/20 0.36
BACE1 P56817 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
SCHEMBL5169235 0.92 CREBBP (0.76) CREBBPMAPTTP53POLBIDO1
SCHEMBL5165749 0.91 CREBBP (0.74) CREBBPMAPTTP53POLBIDO1
SCHEMBL20642102 0.90 CREBBP (1.00) CREBBPMAPTTP53POLBIDO1
SCHEMBL4489179 0.85 CREBBP (0.67) CREBBPMAPTTP53POLBIDO1
Hydrochloric Acid SCHEMBL4481605 0.84 CREBBP (0.66) CREBBPMAPTTP53POLBIDO1
Hydrochloric Acid SCHEMBL5167981 0.84 CREBBP (0.66) CREBBPMAPTTP53POLBIDO1
SCHEMBL5168350 0.84 CREBBP (0.66) CREBBPMAPTTP53POLBIDO1
SCHEMBL5167944 0.84 CREBBP (0.66) CREBBPMAPTTP53POLBGAA
SCHEMBL5166430 0.82 CREBBP (0.64) CREBBPMAPTTP53POLBIDO1
SCHEMBL5169014 0.82 CREBBP (0.62) CREBBPMAPTTP53POLBIDO1

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-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
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 disclosed
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 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 CREBBP 1065/4885MAPT 203/4885TP53 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.