SCHEMBL3664081

SCHEMBL3664081

Brc1cncc(-c2cc(NCc3ccccc3)nc(-c3ccccn3)c2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR39 O43194 10/20 0.49
GABRG2 P18507 1/20 0.46
GABRB3 P28472 1/20 0.46
GABRA5 P31644 1/20 0.46
GABRA3 P34903 1/20 0.46
CYP1A2 P05177 2/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2D6 P10635 2/20 0.44
CLK4 Q9HAZ1 2/20 0.44
ALDH1A1 P00352 2/20 0.44
HSD17B10 Q99714 1/20 0.44
FABP1 P07148 1/20 0.44
FABP6 P51161 1/20 0.44
FYN P06241 1/20 0.43
PPP1CA P62136 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
USP2 O75604 1/20 0.42
CYP2C19 P33261 1/20 0.42
KDR P35968 1/20 0.42

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
SCHEMBL3664532 0.90 GPR39 (0.42) GPR39GABRG2GABRB3GABRA5GABRA3
SCHEMBL3662804 0.85 CYP3A4 (0.58) GPR39CYP1A2CYP3A4CYP2D6CLK4
SCHEMBL3661584 0.85 GABRG2 (0.47) GPR39GABRG2GABRB3GABRA5GABRA3
SCHEMBL3664054 0.83 GPR39 (0.46) GPR39GABRG2GABRB3GABRA5GABRA3
SCHEMBL3662536 0.83 GPR39 (0.55) GPR39HIF1A
SCHEMBL3719314 0.82 GABRG2 (0.44) GABRG2GABRB3GABRA5GABRA3CYP1A2
SCHEMBL3665841 0.81 CLK4 (0.55) GPR39CYP1A2CYP3A4CYP2D6CLK4
SCHEMBL3718165 0.80 GPR39 (0.38) GPR39CYP1A2CYP3A4CYP2D6CLK4
SCHEMBL3661769 0.80 KDM4E (0.37) GPR39CYP1A2ALDH1A1SMN1; SMN2KMT2A
SCHEMBL3667875 0.80 GPR39 (0.37) GPR39CYP1A2ALDH1A1SMN1; SMN2L3MBTL1

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.