SCHEMBL3664054

SCHEMBL3664054

Oc1cccc(-c2cncc(-c3cc(NCc4ccccc4)nc(-c4ccccn4)c3)c2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR39 O43194 5/20 0.46
FYN P06241 2/20 0.45
CSNK1D P48730 1/20 0.44
PIK3CA P42336 4/20 0.44
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2D6 P10635 2/20 0.43
CLK4 Q9HAZ1 2/20 0.43
ALDH1A1 P00352 1/20 0.43
HSD17B10 Q99714 1/20 0.43
BRAF P15056 1/20 0.42
PIK3CB P42338 2/20 0.42
PIK3CG P48736 2/20 0.42
USP2 O75604 1/20 0.42
CYP2C19 P33261 1/20 0.42
KDR P35968 1/20 0.41
HIF1A Q16665 1/20 0.41
GABRG2 P18507 1/20 0.41
GABRB3 P28472 1/20 0.41
GABRA5 P31644 1/20 0.41

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
SCHEMBL3666036 0.87 HIF1A (0.47) GPR39CYP1A2CYP3A4CYP2D6CLK4
SCHEMBL3664532 0.86 GPR39 (0.42) GPR39FYNPIK3CACLK4PIK3CB
SCHEMBL3665841 0.85 CLK4 (0.55) GPR39FYNCYP1A2CYP3A4CYP2D6
SCHEMBL3665851 0.84 PIK3CA (0.44) GPR39FYNPIK3CABRAFPIK3CB
SCHEMBL3662804 0.84 CYP3A4 (0.58) GPR39FYNCYP1A2CYP3A4CYP2D6
SCHEMBL3664081 0.83 GPR39 (0.49) GPR39FYNCYP1A2CYP3A4CYP2D6
SCHEMBL3664970 0.81 HDAC1 (0.43) GPR39FYNCYP1A2CYP3A4CYP2D6
SCHEMBL2240058 0.75 HIF1A (0.51) CYP1A2CYP3A4CYP2D6CLK4ALDH1A1
SCHEMBL2237778 0.75 PIK3CA (0.44) PIK3CAPIK3CBPIK3CGHIF1A
SCHEMBL2237339 0.75 PIK3CA (0.42) PIK3CAPIK3CBPIK3CGKDRHIF1A

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 222/4885FYN 4416/4885CSNK1D 2162/4885

“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.