SCHEMBL4559457

SCHEMBL4559457

Clc1ccc(Nc2ccc(-c3nccn3C3CCCCC3)cn2)cc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 2/20 0.43
PRKDC P78527 2/20 0.43
GRM5 P41594 7/20 0.43
PDGFRA P16234 1/20 0.37
CCNE1 P24864 1/20 0.37
CDK2 P24941 1/20 0.37
ABCC9 O60706 1/20 0.36
FLT3 P36888 1/20 0.36
THRB P10828 1/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
MTOR P42345 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA5 P31644 1/20 0.35
ALDH1A1 P00352 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL4514307 0.77 GRM5 (0.40) GRM5GABRG2GABRB3GABRA5
SCHEMBL4515632 0.77 GRM5 (0.43) GRM5ALDH1A1
SCHEMBL4522322 0.75 GRM5 (0.40) GRM5CDK2
SCHEMBL4528975 0.74 GRM5 (0.44) GRM5
SCHEMBL4513339 0.73 GRM5 (0.48) GRM5ALDH1A1
SCHEMBL4519722 0.73 KDR (0.45) GRM5LMNAHTT
SCHEMBL4524435 0.71 LIMK2 (0.50) LMNAHTTALDH1A1NPSR1
SCHEMBL4517225 0.71 BRD4 (0.40) GRM5
SCHEMBL28400995 0.70 NPC1 (0.40) LMNAALDH1A1
SCHEMBL29286631 0.70 ADORA1 (0.41) GRM5LMNA

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 PIK3CA 2774/4885PRKDC 4523/4885GRM5 3095/4885

“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.