SCHEMBL4524359

SCHEMBL4524359

CC(C)n1cnnc1-c1ccc(Nc2ccc(Cl)cc2)nc1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAP3K5 Q99683 8/20 0.42
MAP3K7 O43318 2/20 0.42
MAP3K6 O95382 2/20 0.42
GRM5 P41594 7/20 0.41
MAPT P10636 1/20 0.38
PCSK9 Q8NBP7 1/20 0.37
CCNA2 P20248 1/20 0.36
CDK2 P24941 1/20 0.36
CCNA1 P78396 1/20 0.36
CDK5 Q00535 1/20 0.36
DYRK1A Q13627 1/20 0.36
CDK5R1 Q15078 1/20 0.36

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
SCHEMBL4522322 0.82 GRM5 (0.40) GRM5MAPTCCNA2CDK2CCNA1
SCHEMBL4522150 0.79 GRM5 (0.42) GRM5MAPTCCNA2CDK2CCNA1
SCHEMBL4520887 0.74 GRM5 (0.44) GRM5MAPTDYRK1A
SCHEMBL4515632 0.72 GRM5 (0.43) GRM5MAPT
SCHEMBL17255742 0.72 ATM (0.40) MAP3K5MAP3K7MAP3K6CDK2
SCHEMBL4517225 0.71 BRD4 (0.40) GRM5MAPT
SCHEMBL4528975 0.69 GRM5 (0.44) GRM5MAPT
SCHEMBL11562966 0.69 GRM5 (0.51) GRM5MAPT
SCHEMBL28402729 0.68 MAPT (0.57) GRM5MAPT
SCHEMBL29501822 0.68 MAPT (0.57) GRM5MAPT

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 7 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
EP-2004624-A1 NOVEL BI-ARYL AMINES Novartis AG (CH) 2008-12-24 EP disclosed
WO-2007113276-A1 NOVEL BI-ARYL AMINES NOVARTIS AG (CH) 2007-10-11 WO 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 MAP3K5 2527/4885MAP3K7 2513/4885MAP3K6 2817/4885

“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.