SCHEMBL4522729

SCHEMBL4522729

Clc1ccc(Nc2ncc(-c3ccc[nH]3)cc2Cl)cc1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 7/20 0.51
CNR1 P21554 1/20 0.48
TTBK1 Q5TCY1 2/20 0.42
TTBK2 Q6IQ55 2/20 0.42
KDR P35968 1/20 0.39
IKBKE Q14164 1/20 0.39
TBK1 Q9UHD2 1/20 0.39
PLK1 P53350 1/20 0.39
MKNK1 Q9BUB5 1/20 0.38
PYGM P11217 1/20 0.38
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
TRPA1 O75762 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
SCHEMBL15873609 0.74 GRM5 (0.54) GRM5MKNK1TRPA1
SCHEMBL4518773 0.74 GRM5 (0.61) GRM5TTBK1TTBK2KDR
SCHEMBL4508452 0.72 GRM5 (0.50) GRM5TTBK1TTBK2MKNK1TRPA1
SCHEMBL4517050 0.72 GRM5 (0.54) GRM5
SCHEMBL4509394 0.71 GRM5 (0.51) GRM5TTBK1TTBK2KDRMKNK1
SCHEMBL3632867 0.71 KDR (0.54) GRM5KDR
SCHEMBL4514791 0.70 KDM4E (0.51) GRM5TTBK1TTBK2KDRMKNK1
SCHEMBL4516647 0.70 GRM5 (0.57) GRM5KDR
SCHEMBL4512901 0.69 GRM5 (0.66) GRM5
SCHEMBL4511277 0.69 GRM5 (0.50) GRM5CNR1MKNK1

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 4 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
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

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 3095/4885CNR1 212/4885TTBK1 2623/4885

“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.