SCHEMBL3664532

SCHEMBL3664532

Oc1cccc(CNc2cc(-c3cncc(Br)c3)cc(-c3ccccn3)n2)c1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GPR39 O43194 10/20 0.42
GABRG2 P18507 1/20 0.40
GABRB3 P28472 1/20 0.40
GABRA5 P31644 1/20 0.40
GABRA3 P34903 1/20 0.40
PIK3CA P42336 4/20 0.39
PIK3CB P42338 2/20 0.37
PIK3CG P48736 2/20 0.37
FYN P06241 1/20 0.37
CDC7 O00311 1/20 0.37
MAP4K4 O95819 1/20 0.37
PIM1 P11309 1/20 0.37
GSK3B P49841 1/20 0.37
CLK4 Q9HAZ1 1/20 0.37
KDR P35968 1/20 0.36
HIF1A Q16665 1/20 0.36
SLC2A4 P14672 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
SCHEMBL3664081 0.90 GPR39 (0.49) GPR39GABRG2GABRB3GABRA5GABRA3
SCHEMBL3664054 0.86 GPR39 (0.46) GPR39GABRG2GABRB3GABRA5GABRA3
SCHEMBL3666036 0.83 HIF1A (0.47) GPR39CLK4HIF1A
SCHEMBL3662536 0.78 GPR39 (0.55) GPR39HIF1A
SCHEMBL3661584 0.78 GABRG2 (0.47) GPR39GABRG2GABRB3GABRA5GABRA3
SCHEMBL3718165 0.77 GPR39 (0.38) GPR39CDC7MAP4K4PIM1GSK3B
SCHEMBL3662804 0.76 CYP3A4 (0.58) GPR39FYNCLK4HIF1A
SCHEMBL2239418 0.75 CYP3A4 (0.52) PIK3CAPIK3CBPIK3CGCLK4HIF1A
SCHEMBL3661769 0.75 KDM4E (0.37) GPR39
SCHEMBL3667875 0.75 GPR39 (0.37) GPR39HIF1A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2242742-B1 PYRIDINE DERIVATIVES NOVARTIS AG (CH) 2015-12-02 EP disclosed
US-8343966-B2 Organic compounds NOVARTIS AG (CH) 2013-01-01 US disclosed
EP-2242742-A2 ORGANIC COMPOUNDS Novartis AG (CH) 2010-10-27 EP disclosed
US-20090215776-A1 Organic compounds ADCOCK CLAIRE 2009-08-27 US disclosed
WO-2009087212-A2 PYRIDINE DERIVATIVES NOVARTIS AG (CH) 2009-07-16 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-20090215776-A1 Organic compounds REN, RXFP1, MYLK GPR39 222/4885GABRG2 3823/4885GABRB3 3062/4885

“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.