SCHEMBL3664008

SCHEMBL3664008

Oc1ccc(CCNc2cc(-c3cccnc3)cc(-c3ccccn3)n2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR Q13258 3/20 0.47
PIK3CA P42336 3/20 0.43
PIK3CB P42338 3/20 0.43
PIK3CG P48736 3/20 0.43
NPC1 O15118 4/20 0.43
RAB9A P51151 4/20 0.43
ALDH1A1 P00352 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
MAPT P10636 2/20 0.43
CYP2A6 P11509 1/20 0.42
L3MBTL1 Q9Y468 3/20 0.42
KDM4E B2RXH2 2/20 0.42
DYRK3 O43781 1/20 0.40
JAK2 O60674 1/20 0.40
ROCK2 O75116 1/20 0.40
PRKD3 O94806 1/20 0.40
MAP4K4 O95819 1/20 0.40
CDK1 P06493 1/20 0.40
PIM1 P11309 1/20 0.40
CDK2 P24941 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
SCHEMBL2242475 0.85 PTGDR (0.54) PTGDRPIK3CAPIK3CBPIK3CGNPC1
SCHEMBL4176797 0.82 PTGDR (0.46) PTGDRPIK3CAPIK3CBPIK3CGNPC1
SCHEMBL3662804 0.80 CYP3A4 (0.58) ALDH1A1CYP2A6MAPK1CLK4GBA1
SCHEMBL3721977 0.77 GBA1 (0.55) NPC1RAB9AALDH1A1SMN1; SMN2CDK2
SCHEMBL3669694 0.76 CYP2A6 (0.54) NPC1RAB9AALDH1A1SMN1; SMN2MAPT
SCHEMBL3718274 0.76 CDK4 (0.45) PTGDRALDH1A1CYP2A6PIM1CDK2
SCHEMBL2239081 0.74 CLK4 (0.54) ALDH1A1SMN1; SMN2CYP2A6L3MBTL1DYRK1A
SCHEMBL2238098 0.74 PTGDR (0.53) PTGDRPIK3CAPIK3CBPIK3CGNPC1
SCHEMBL2240876 0.73 PTGDR (0.55) PTGDRPIK3CAPIK3CBPIK3CGNPC1
SCHEMBL2237693 0.73 PTGDR (0.73) PTGDRDYRK1ACLK4

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 PTGDR 847/4885PIK3CA 3688/4885PIK3CB 4315/4885

“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.