SCHEMBL4513339

SCHEMBL4513339

CCCn1ccnc1-c1ccc(Nc2ccc(Cl)cc2)nc1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 11/20 0.48
BRD4 O60885 1/20 0.39
TNIK Q9UKE5 1/20 0.38
MAPT P10636 2/20 0.37
ALDH1A1 P00352 2/20 0.36
POLB P06746 1/20 0.36
KMT2A Q03164 1/20 0.36
EGFR P00533 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
SCHEMBL4528975 0.91 GRM5 (0.44) GRM5BRD4TNIKMAPT
SCHEMBL4517225 0.86 BRD4 (0.40) GRM5BRD4MAPT
SCHEMBL4515632 0.85 GRM5 (0.43) GRM5MAPTALDH1A1POLBKMT2A
SCHEMBL4524435 0.83 LIMK2 (0.50) BRD4MAPTALDH1A1KMT2A
SCHEMBL4514307 0.82 GRM5 (0.40) GRM5BRD4
SCHEMBL4523983 0.82 GRM5 (0.71) GRM5BRD4
SCHEMBL4522322 0.80 GRM5 (0.40) GRM5MAPT
SCHEMBL4519722 0.76 KDR (0.45) GRM5MAPTKMT2A
SCHEMBL3629201 0.74 GRM5 (0.60) GRM5MAPT
SCHEMBL4559457 0.73 PIK3CA (0.43) GRM5ALDH1A1

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 3095/4885BRD4 435/4885TNIK 4191/4885

“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.