SCHEMBL4518773

SCHEMBL4518773

Cc1c[nH]c(-c2cnc(Nc3ccc(Cl)cc3)c(Cl)c2)n1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 13/20 0.61
BCL6 P41182 1/20 0.44
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 1/20 0.38
TTBK1 Q5TCY1 1/20 0.37
TTBK2 Q6IQ55 1/20 0.37
EGFR P00533 1/20 0.37
KDR P35968 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
SCHEMBL4517050 0.85 GRM5 (0.54) GRM5BCL6MAPT
SCHEMBL4516647 0.81 GRM5 (0.57) GRM5BCL6MEN1KMT2AKDR
SCHEMBL4505307 0.78 GRM5 (0.57) GRM5BCL6MAPT
SCHEMBL4505177 0.76 GRM5 (1.00) GRM5BCL6NPC1RAB9AMEN1
SCHEMBL4512901 0.75 GRM5 (0.66) GRM5BCL6
SCHEMBL4508452 0.75 GRM5 (0.50) GRM5BCL6MEN1ALDH1A1KMT2A
SCHEMBL4511277 0.75 GRM5 (0.50) GRM5BCL6MAPT
SCHEMBL3632867 0.74 KDR (0.54) GRM5NPC1RAB9AMEN1ALDH1A1
SCHEMBL4522729 0.74 GRM5 (0.51) GRM5TTBK1TTBK2KDR
SCHEMBL13680573 0.74 MAPK1 (0.54) NPC1RAB9AMEN1ALDH1A1GAA

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 3 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
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

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 3095/4885BCL6 2305/4885NPC1 564/4885

“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.