SCHEMBL4519722

SCHEMBL4519722

Clc1ccc(Nc2ccc(-c3nccn3-c3ccccc3)cn2)cc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDR P35968 7/20 0.45
MAPKAPK2 P49137 2/20 0.42
MAPT P10636 3/20 0.40
HPGD P15428 2/20 0.40
MAPK1 P28482 2/20 0.40
KDM4E B2RXH2 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 2/20 0.39
GAA P10253 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GRM5 P41594 4/20 0.39
NPC1 O15118 1/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 1/20 0.38
HSD17B10 Q99714 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
SCHEMBL4524435 0.81 LIMK2 (0.50) MAPTHPGDMAPK1KDM4EMEN1
SCHEMBL4515632 0.80 GRM5 (0.43) MAPTKMT2AGRM5NPC1RAB9A
SCHEMBL4522322 0.78 GRM5 (0.40) MAPTTP53GRM5NPC1RAB9A
SCHEMBL4528975 0.77 GRM5 (0.44) MAPTSMN1; SMN2GRM5NPC1RAB9A
SCHEMBL4513339 0.76 GRM5 (0.48) MAPTKMT2AGRM5
SCHEMBL28302004 0.75 MAPKAPK2 (0.53) KDRMAPKAPK2KDM4EMEN1KMT2A
SCHEMBL4517225 0.74 BRD4 (0.40) MAPTGRM5
SCHEMBL5319319 0.73 MAPKAPK2 (0.60) MAPKAPK2MAPK1MEN1KMT2A
SCHEMBL4518525 0.73 KDM4E (0.64) MAPTHPGDMAPK1KDM4EMEN1
SCHEMBL4559457 0.73 PIK3CA (0.43) LMNAGRM5HTT

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 KDR 1967/4885MAPKAPK2 3204/4885MAPT 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.