SCHEMBL3720880

SCHEMBL3720880

CC(C)N1CCN(CC#Cc2cncc(-c3cc(NC4CC4)nc(-c4ccccn4)c3)c2)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR39 O43194 3/20 0.38
PIK3CD O00329 2/20 0.36
PIK3R1 P27986 2/20 0.36
PIK3CA P42336 2/20 0.36
PIK3CB P42338 2/20 0.36
PIK3CG P48736 1/20 0.36
PIK3C3 Q8NEB9 1/20 0.36
DYRK1A Q13627 4/20 0.36
GSK3B P49841 3/20 0.36
LMNA P02545 1/20 0.35
CYP2D6 P10635 1/20 0.35
GRM5 P41594 1/20 0.35
GPR4 P46093 4/20 0.34
VCP P55072 1/20 0.34
GBA1 P04062 1/20 0.34
CTSK P43235 1/20 0.34
FLT3 P36888 1/20 0.32
TYRO3 Q06418 1/20 0.32
MERTK Q12866 1/20 0.32
GAS6 Q14393 1/20 0.32

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 0.86 ACHE (0.42) GPR39PIK3CDPIK3R1PIK3CAPIK3CB
SCHEMBL3721182 0.84 GRM5 (0.36) PIK3CDPIK3R1PIK3CAPIK3CBPIK3CG
SCHEMBL3719006 0.83 ACVR1 (0.43) GPR39PIK3CDPIK3R1PIK3CAPIK3CB
SCHEMBL4186178 0.81 GPR39 (0.38) GPR39DYRK1AGSK3BLMNAGBA1
SCHEMBL4185251 0.80 GPR39 (0.44) GPR39DYRK1AGSK3BGRM5FLT3
SCHEMBL3723915 0.80 CYP1A2 (0.36) GPR39PIK3CDPIK3R1PIK3CAPIK3CB
SCHEMBL3661666 0.78 GPR39 (0.45) GPR39GRM5FLT3TYRO3MERTK
SCHEMBL3719497 0.77 SYK (0.44) DYRK1AGSK3B
SCHEMBL3723884 0.76 ACHE (0.38) PIK3CDPIK3R1PIK3CAPIK3CBPIK3CG
SCHEMBL3662150 0.75 DYRK1A (0.41) GPR39DYRK1AGSK3BGRM5TYRO3

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 GPR39 222/4885PIK3CD 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.