SCHEMBL4515632

SCHEMBL4515632

Cn1ccnc1-c1ccc(Nc2ccc(Cl)cc2)nc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 10/20 0.43
MAPT P10636 1/20 0.39
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39
KMT2A Q03164 1/20 0.39
LRRK2 Q5S007 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
BRAF P15056 1/20 0.38
PDE10A Q9Y233 1/20 0.38
IDO1 P14902 1/20 0.37
NPC1 O15118 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C19 P33261 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL4513339 0.85 GRM5 (0.48) GRM5MAPTALDH1A1POLBKMT2A
SCHEMBL4522322 0.84 GRM5 (0.40) GRM5MAPTLRRK2BRAFPDE10A
SCHEMBL4528975 0.83 GRM5 (0.44) GRM5MAPTBRAFPDE10ANPC1
SCHEMBL4517225 0.80 BRD4 (0.40) GRM5MAPTBRAFPDE10A
SCHEMBL4519722 0.80 KDR (0.45) GRM5MAPTKMT2ANPC1RAB9A
SCHEMBL10558737 0.79 NR1H2 (0.45) ALDH1A1POLBKMT2ALRRK2NPC1
SCHEMBL4524435 0.78 LIMK2 (0.50) MAPTALDH1A1KMT2ACYP1A2CYP3A4
SCHEMBL4514307 0.77 GRM5 (0.40) GRM5
SCHEMBL4559457 0.77 PIK3CA (0.43) GRM5ALDH1A1
SCHEMBL31646790 0.75 MEN1 (0.49) ALDH1A1POLBKMT2ALRRK2NPC1

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 6 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
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 3095/4885MAPT 1161/4885ALDH1A1 169/4885

“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.