SCHEMBL4522322

SCHEMBL4522322

CC(C)n1ccnc1-c1ccc(Nc2ccc(Cl)cc2)nc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 9/20 0.40
NR3C1 P04150 1/20 0.37
MAPT P10636 2/20 0.37
PDE10A Q9Y233 1/20 0.36
BRAF P15056 1/20 0.36
CCNA2 P20248 1/20 0.35
CDK2 P24941 1/20 0.35
CCNA1 P78396 1/20 0.35
CDK5 Q00535 1/20 0.35
DYRK1A Q13627 1/20 0.35
CDK5R1 Q15078 1/20 0.35
IDO1 P14902 1/20 0.35
AOC3 Q16853 1/20 0.35
NPC1 O15118 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 1/20 0.35
RAB9A P51151 1/20 0.35
TP53 P04637 1/20 0.35
LRRK2 Q5S007 1/20 0.34

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
SCHEMBL4515632 0.84 GRM5 (0.43) GRM5MAPTPDE10ABRAFIDO1
SCHEMBL4517225 0.83 BRD4 (0.40) GRM5MAPTPDE10ABRAF
SCHEMBL4524359 0.82 MAP3K5 (0.42) GRM5MAPTCCNA2CDK2CCNA1
SCHEMBL4528975 0.81 GRM5 (0.44) GRM5MAPTPDE10ABRAFNPC1
SCHEMBL4513339 0.80 GRM5 (0.48) GRM5MAPT
SCHEMBL4522150 0.79 GRM5 (0.42) GRM5MAPTCCNA2CDK2CCNA1
SCHEMBL4519722 0.78 KDR (0.45) GRM5MAPTNPC1RAB9ATP53
SCHEMBL4524435 0.76 LIMK2 (0.50) NR3C1MAPTCYP1A2CYP3A4CYP2C19
SCHEMBL4514307 0.75 GRM5 (0.40) GRM5NR3C1
SCHEMBL4559457 0.75 PIK3CA (0.43) GRM5CDK2

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 GRM5 3095/4885NR3C1 1564/4885MAPT 1161/4885

“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.