SCHEMBL3663465

SCHEMBL3663465

CCNc1cc(-c2cncc(-c3cccc(OC)c3)c2)cc(-c2ccccn2)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 2/20 0.47
ADORA2B P29275 1/20 0.47
ADORA1 P30542 1/20 0.47
FFAR1 O14842 2/20 0.46
NPC1 O15118 1/20 0.45
PKM P14618 1/20 0.45
GRM5 P41594 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
TGFBR1 P36897 1/20 0.43
CYP11B1 P15538 3/20 0.43
CYP11B2 P19099 3/20 0.43
HIF1A Q16665 1/20 0.42
BACE1 P56817 1/20 0.42
CLK4 Q9HAZ1 4/20 0.41
CYP1A2 P05177 3/20 0.41
CYP3A4 P08684 3/20 0.41
CYP2D6 P10635 3/20 0.41
TSHR P16473 3/20 0.41
CYP2C19 P33261 3/20 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
SCHEMBL3665841 0.89 CLK4 (0.55) SMN1; SMN2HIF1ABACE1CLK4CYP1A2
SCHEMBL2239406 0.87 FFAR1 (0.54) ADORA3ADORA2BADORA1FFAR1NPC1
SCHEMBL3666866 0.86 ADORA3 (0.45) ADORA3ADORA2BADORA1FFAR1NPC1
SCHEMBL3666036 0.85 HIF1A (0.47) ADORA3ADORA2BADORA1SMN1; SMN2HIF1A
SCHEMBL4175691 0.84 CYP1A2 (0.46) ADORA3ADORA2BADORA1NPC1PKM
SCHEMBL3666895 0.83 NPC1 (0.47) ADORA1FFAR1NPC1PKMGRM5
SCHEMBL3661867 0.82 NPC1 (0.49) ADORA1FFAR1NPC1PKMGRM5
SCHEMBL3664970 0.78 HDAC1 (0.43) TGFBR1HIF1ABACE1CLK4CYP1A2
SCHEMBL3668750 0.77 CYP1A2 (0.51) ADORA3ADORA2BADORA1SMN1; SMN2CYP11B1
SCHEMBL3662480 0.77 CYP11B1 (0.43) FFAR1NPC1PKMGRM5RAB9A

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 ADORA3 1964/4885ADORA2B 1941/4885ADORA1 1478/4885

“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.