SCHEMBL3662536

SCHEMBL3662536

Brc1cncc(-c2cc(NCC3CC3)nc(-c3ccccn3)c2)c1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GPR39 O43194 9/20 0.55
HIF1A Q16665 3/20 0.42
TRPM8 Q7Z2W7 1/20 0.41
VCP P55072 2/20 0.37
IDH1 O75874 1/20 0.37
SLC2A1 P11166 1/20 0.37
AXL P30530 1/20 0.36
FLT3 P36888 1/20 0.36
TYRO3 Q06418 1/20 0.36
MERTK Q12866 1/20 0.36
GAS6 Q14393 1/20 0.36
PDE5A O76074 1/20 0.35

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
SCHEMBL3665002 0.84 GPR39 (0.47) GPR39TRPM8AXLFLT3TYRO3
SCHEMBL3664081 0.83 GPR39 (0.49) GPR39HIF1A
SCHEMBL3664859 0.82 GPR39 (0.51) GPR39TRPM8SLC2A1AXLFLT3
SCHEMBL3663909 0.82 GPR39 (0.54) GPR39TRPM8SLC2A1AXLFLT3
SCHEMBL3667875 0.78 GPR39 (0.37) GPR39HIF1ASLC2A1
SCHEMBL3659080 0.78 CYP1A2 (0.45) GPR39TRPM8FLT3
SCHEMBL3661769 0.78 KDM4E (0.37) GPR39
SCHEMBL3664532 0.78 GPR39 (0.42) GPR39HIF1A
SCHEMBL3722419 0.77 GPR39 (0.48) GPR39
SCHEMBL3663615 0.76 CCR1 (0.37) GPR39HIF1ASLC2A1

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 222/4885HIF1A 1342/4885TRPM8 2365/4885

“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.