SCHEMBL4505307

SCHEMBL4505307

CCc1[nH]c(-c2cnc(Nc3ccc(Cl)cc3)c(Cl)c2)nc1C

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 13/20 0.57
BCL6 P41182 1/20 0.39
RXRA P19793 1/20 0.39
NR4A2 P43354 1/20 0.39
CRHR1 P34998 2/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
NR1I2 O75469 1/20 0.36
AHR P35869 1/20 0.36
STK17A Q9UEE5 1/20 0.36

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
SCHEMBL4516647 0.87 GRM5 (0.57) GRM5BCL6HTTNR1I2AHR
SCHEMBL4517050 0.81 GRM5 (0.54) GRM5BCL6CRHR1LMNAPOLB
SCHEMBL4518773 0.78 GRM5 (0.61) GRM5BCL6MAPT
SCHEMBL3633502 0.76 GRM5 (0.47) GRM5MAPT
SCHEMBL3632867 0.75 KDR (0.54) GRM5LMNAPOLBMAPT
SCHEMBL4510461 0.74 GRM5 (0.83) GRM5BCL6RXRANR4A2CRHR1
SCHEMBL4511277 0.74 GRM5 (0.50) GRM5BCL6MAPT
SCHEMBL27801687 0.74 NPC1 (0.48) GRM5MAPT
SCHEMBL4502545 0.73 GRM5 (1.00) GRM5BCL6CRHR1MAPT
SCHEMBL4530571 0.73 GRM5 (0.67) GRM5BCL6RXRANR4A2CRHR1

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 2305/4885RXRA 2740/4885

“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.