SCHEMBL4168450

SCHEMBL4168450

O=C(NCc1ccccn1)c1cccc(Cc2cc(Cl)ccc2OCc2ccccc2)n1

nearest known ligand 0.71

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 16/20 0.71
KMT2A Q03164 1/20 0.69
CYP1A2 P05177 2/20 0.55
CYP2C9 P11712 2/20 0.55

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
SCHEMBL4164060 0.92 PTGER1 (0.77) PTGER1CYP1A2CYP2C9
SCHEMBL4163185 0.88 PTGER1 (0.73) PTGER1KMT2ACYP1A2CYP2C9
SCHEMBL5130495 0.87 PTGER1 (0.69) PTGER1KMT2A
SCHEMBL13874500 0.85 PTGER1 (0.78) PTGER1CYP1A2CYP2C9
SCHEMBL4152063 0.85 PTGER1 (0.71) PTGER1KMT2ACYP1A2CYP2C9
SCHEMBL2958646 0.84 PTGER1 (1.00) PTGER1CYP1A2CYP2C9
SCHEMBL4158460 0.83 PTGER1 (0.76) PTGER1CYP1A2CYP2C9
SCHEMBL4924862 0.83 PTGER1 (0.68) PTGER1KMT2A
SCHEMBL4164627 0.83 PTGER1 (0.74) PTGER1CYP1A2CYP2C9
SCHEMBL13890168 0.82 PTGER1 (0.73) PTGER1CYP1A2CYP2C9

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090099177-A1 PYRIDYL COMPOUNDS GLAXO GROUP LIMITED (GB) 2009-04-16 US disclosed
US-20090099177-A1 PYRIDYL COMPOUNDS GLAXO GROUP LIMITED (GB) 2009-04-16 US disclosed
US-20090099177-A1 PYRIDYL COMPOUNDS GLAXO GROUP LIMITED (GB) 2009-04-16 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-20090099177-A1 PYRIDYL COMPOUNDS CYP2C19, CYP4F3, C5 PTGER1 180/4885KMT2A 3656/4885CYP1A2 24/4885

“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.