SCHEMBL3721182

SCHEMBL3721182

CC(C)N1CCN(CC#Cc2cncc(-c3cc(CN)nc(-c4ccccn4)c3)c2)CC1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 4/20 0.36
PIK3CD O00329 2/20 0.36
PIK3R1 P27986 2/20 0.36
PIK3CA P42336 2/20 0.36
PIK3CB P42338 2/20 0.36
GPR4 P46093 4/20 0.36
PIK3CG P48736 1/20 0.35
PIK3C3 Q8NEB9 1/20 0.35
CTSK P43235 1/20 0.35
F12 P00748 2/20 0.32
TRPV4 Q9HBA0 1/20 0.31
LMNA P02545 1/20 0.30
CYP2D6 P10635 1/20 0.30

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
SCHEMBL3726295 0.85 ACHE (0.42) GRM5PIK3CDPIK3R1PIK3CAPIK3CB
SCHEMBL3720880 0.84 GPR39 (0.38) GRM5PIK3CDPIK3R1PIK3CAPIK3CB
SCHEMBL3717465 0.82 DRD2 (0.41) PIK3CDPIK3R1PIK3CAPIK3CBPIK3CG
SCHEMBL3720795 0.80 DRD2 (0.38) LMNA
SCHEMBL3721745 0.79 CYP11B2 (0.35) PIK3CAF12
SCHEMBL3723915 0.77 CYP1A2 (0.36) GRM5PIK3CDPIK3R1PIK3CAPIK3CB
SCHEMBL3723884 0.75 ACHE (0.38) PIK3CDPIK3R1PIK3CAPIK3CBGPR4
SCHEMBL3718052 0.75 MET (0.43)
SCHEMBL3724032 0.74 GPR39 (0.39) GRM5CYP2D6
SCHEMBL3806331 0.72 DRD2 (0.40) PIK3CDPIK3R1PIK3CAPIK3CBPIK3CG

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 GRM5 4235/4885PIK3CD 4364/4885PIK3R1 2640/4885

“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.