SCHEMBL5166868

SCHEMBL5166868

CC(=O)N(c1c(-c2cc(C)c(C)o2)nc2cccc(C)n12)C(C)(C)CC(C)(C)C

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP1A2 P05177 1/20 0.32
POLB P06746 1/20 0.32
HPGD P15428 1/20 0.32
CYP2C19 P33261 1/20 0.32
PKM P14618 2/20 0.31
PKLR P30613 2/20 0.31
TP53 P04637 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL5165500 0.85 KMT2A (0.37) KDM4EALDH1A1CYP1A2CYP2C19PKM
SCHEMBL5167270 0.77 MEN1 (0.36) KDM4EALDH1A1POLBHPGDTP53
SCHEMBL5166413 0.76 CREBBP (0.37) KDM4EALDH1A1POLBPKMTP53
SCHEMBL5167192 0.74 CREBBP (0.35) KDM4EALDH1A1GAA
SCHEMBL5165680 0.74 CREBBP (0.37) KDM4EALDH1A1HPGD
SCHEMBL5166910 0.72 CREBBP (0.42) CYP1A2CYP2C19PKMPKLRGAA
SCHEMBL5169050 0.72 ALDH1A1 (0.34) KDM4EALDH1A1POLBHPGDTP53
SCHEMBL5165682 0.72 CREBBP (0.35)
SCHEMBL5167386 0.71 CREBBP (0.38) TP53GAAMAPT
SCHEMBL5168909 0.71 CREBBP (0.45) KDM4EALDH1A1POLBHPGDTP53

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 KDM4E 3834/4885ALDH1A1 3066/4885CYP1A2 1000/4885

“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.