SCHEMBL4512901

SCHEMBL4512901

Cc1cnc(-c2cnc(Nc3ccc(Cl)cc3)c(Cl)c2)n1C

nearest known ligand 0.66

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 15/20 0.66
BCL6 P41182 1/20 0.45
KCNN2 Q9H2S1 1/20 0.38
KCNN3 Q9UGI6 1/20 0.38

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
SCHEMBL4505177 0.80 GRM5 (1.00) GRM5BCL6KCNN2KCNN3
SCHEMBL3635809 0.78 GRM5 (0.76) GRM5
SCHEMBL4520789 0.77 GRM5 (0.63) GRM5BCL6KCNN2KCNN3
SCHEMBL3637525 0.77 GRM5 (0.61) GRM5BCL6
SCHEMBL3634023 0.77 GRM5 (0.59) GRM5BCL6
SCHEMBL4517945 0.76 GRM5 (0.75) GRM5BCL6KCNN2KCNN3
SCHEMBL4523983 0.76 GRM5 (0.71) GRM5BCL6
SCHEMBL4518773 0.75 GRM5 (0.61) GRM5BCL6
SCHEMBL4522628 0.75 GRM5 (0.61) GRM5BCL6
SCHEMBL4522445 0.75 MEN1 (0.61) GRM5BCL6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090286827-A1 NOVEL BI-ARYL AMINES NOVARTIS AG (CH) 2009-11-19 US disclosed
US-20090286827-A1 NOVEL BI-ARYL AMINES NOVARTIS AG (CH) 2009-11-19 US disclosed
US-20090286827-A1 NOVEL BI-ARYL AMINES NOVARTIS AG (CH) 2009-11-19 US disclosed
CN-101460478-A Novel bi-aryl amines NOVARTIS AG (CH) 2009-06-17 CN disclosed
WO-2007113276-A1 NOVEL BI-ARYL AMINES NOVARTIS AG (CH) 2007-10-11 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-20090286827-A1 NOVEL BI-ARYL AMINES NAT1, MAOB, CYP2B6 GRM5 3095/4885BCL6 2305/4885KCNN2 1568/4885

“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.