SCHEMBL3666866

SCHEMBL3666866

COc1cccc(-c2cncc(-c3cc(NC(C)(C)C)nc(-c4ccccn4)c3)c2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 2/20 0.45
ADORA2B P29275 1/20 0.45
ADORA1 P30542 1/20 0.45
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 2/20 0.43
CYP11B2 P19099 2/20 0.43
KDR P35968 1/20 0.40
DYRK1A Q13627 1/20 0.40
CLK4 Q9HAZ1 1/20 0.40
CCNE2 O96020 1/20 0.39
CCNE1 P24864 1/20 0.39
CDK2 P24941 1/20 0.39
FFAR1 O14842 1/20 0.39
PDGFRB P09619 1/20 0.38
PDGFRA P16234 1/20 0.38

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
SCHEMBL3663465 0.86 ADORA3 (0.47) ADORA3ADORA2BADORA1NPC1PKM
SCHEMBL4175691 0.84 CYP1A2 (0.46) ADORA3ADORA2BADORA1NPC1PKM
SCHEMBL3665841 0.83 CLK4 (0.55) SMN1; SMN2DYRK1ACLK4LMNAHPGD
SCHEMBL3661867 0.82 NPC1 (0.49) ADORA1NPC1PKMGRM5RAB9A
SCHEMBL3667875 0.81 GPR39 (0.37) NPC1PKMGRM5RAB9ASMN1; SMN2
SCHEMBL3666036 0.80 HIF1A (0.47) ADORA3ADORA2BADORA1SMN1; SMN2DYRK1A
SCHEMBL3666895 0.79 NPC1 (0.47) ADORA1NPC1PKMGRM5RAB9A
SCHEMBL2238727 0.75 NPC1 (0.52) ADORA3ADORA2BADORA1NPC1PKM
SCHEMBL3665733 0.75 TGFBR1 (0.49) TGFBR1
SCHEMBL3666108 0.73 SIRT2 (0.41) ADORA3

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.