SCHEMBL3666895

SCHEMBL3666895

COc1cccc(-c2cncc(-c3cc(CN)nc(-c4ccccn4)c3)c2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
PKM P14618 1/20 0.47
GRM5 P41594 1/20 0.47
CYP11B1 P15538 3/20 0.44
CYP11B2 P19099 3/20 0.44
TGFBR1 P36897 1/20 0.44
FFAR1 O14842 1/20 0.44
MGAT2 Q10469 1/20 0.43
GRIN1 Q05586 2/20 0.43
GRIN2B Q13224 2/20 0.43
DYRK1A Q13627 1/20 0.41
CLK4 Q9HAZ1 1/20 0.41
BACE1 P56817 1/20 0.41
SYK P43405 1/20 0.40
ADORA2A P29274 1/20 0.40
ADORA1 P30542 1/20 0.40
PDGFRB P09619 1/20 0.40
PDGFRA P16234 1/20 0.40

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
SCHEMBL3662480 0.92 CYP11B1 (0.43) NPC1RAB9ASMN1; SMN2PKMGRM5
SCHEMBL2238718 0.87 FFAR1 (0.54) NPC1RAB9ASMN1; SMN2PKMGRM5
SCHEMBL3665665 0.86 CYP19A1 (0.42) GRM5CYP11B1CYP11B2TGFBR1FFAR1
SCHEMBL3661867 0.86 NPC1 (0.49) NPC1RAB9ASMN1; SMN2PKMGRM5
SCHEMBL3663471 0.85 MEN1 (0.41) NPC1RAB9ASMN1; SMN2FFAR1SYK
SCHEMBL3663465 0.83 ADORA3 (0.47) NPC1RAB9ASMN1; SMN2PKMGRM5
SCHEMBL3662834 0.83 KDM4E (0.41) NPC1RAB9ASMN1; SMN2PKMGRM5
SCHEMBL3664279 0.81 LOXL2 (0.46)
SCHEMBL3665841 0.81 CLK4 (0.55) SMN1; SMN2DYRK1ACLK4BACE1LMNA
SCHEMBL3666866 0.79 ADORA3 (0.45) NPC1RAB9ASMN1; SMN2PKMGRM5

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 NPC1 1909/4885RAB9A 149/4885SMN1; SMN2 612/4885

“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.