SCHEMBL4385244

SCHEMBL4385244

C[C]1CCCn2c1nc(-c1ccncn1)c(C(N)=O)c2=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 1/20 0.41
GABRA1 P14867 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA3 P34903 1/20 0.38
GSK3B P49841 4/20 0.35
MAPT P10636 1/20 0.32
HSD17B10 Q99714 1/20 0.32
JAK2 O60674 1/20 0.31
ADORA2B P29275 1/20 0.31
MAPK1 P28482 1/20 0.31
RPS6KA2 Q15349 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
P2RX7 Q99572 1/20 0.31
GABRA5 P31644 1/20 0.30
RXFP1 Q9HBX9 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
USP2 O75604 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL4381429 0.76 ADORA2B (0.32) PIK3CAGSK3BADORA2BP2RX7
SCHEMBL3565612 0.65 KDM4E (0.45) PIK3CAGABRA1GABRG2GABRB3GABRA3
SCHEMBL16713264 0.63 HSP90AA1 (0.36) HSD17B10JAK2ADORA2BP2RX7
SCHEMBL4381399 0.62 GSK3B (0.45) PIK3CAGSK3B
SCHEMBL4379551 0.61 GSK3B (0.42) PIK3CAGSK3B
SCHEMBL28177811 0.60 P2RX7 (0.39) JAK2ADORA2BP2RX7
SCHEMBL3577522 0.60 KDM4E (0.45) GABRA1GABRG2GABRB3GABRA3GSK3B
SCHEMBL4386507 0.59 GSK3B (0.35) GABRA1GABRG2GABRB3GABRA3GSK3B
SCHEMBL4380719 0.59 GSK3B (0.44) GSK3B
SCHEMBL4378664 0.58 SRC (0.38)

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8198287-B2 Substituted heteroaryl pyridopyrimidone derivatives SANOFI-AVENTIS (FR) 2012-06-12 US claimed
US-20090306088-A1 SUBSTITUTED HETEROARYL PYRIDOPYRIMIDONE DERIVATIVES SANOFI-AVENTIS (FR) 2009-12-10 US claimed
EP-2121635-A2 SUBSTITUTED HETEROARYL PYRIDOPYRIMIDONE DERIVATIVES Sanofi-Aventis (FR) 2009-11-25 EP claimed
WO-2008078196-A2 SUBSTITUTED HETEROARYL PYRIDOPYRIMIDONE DERIVATIVES SANOFI-AVENTIS (FR) 2008-07-03 WO claimed
EP-1939187-A1 Substituted heteroaryl pyridopyrimidone derivatives Sanofi-Aventis (FR) 2008-07-02 EP claimed
US-8198287-B2 Substituted heteroaryl pyridopyrimidone derivatives SANOFI-AVENTIS (FR) 2012-06-12 US disclosed
US-20090306088-A1 SUBSTITUTED HETEROARYL PYRIDOPYRIMIDONE DERIVATIVES SANOFI-AVENTIS (FR) 2009-12-10 US disclosed
EP-2121635-A2 SUBSTITUTED HETEROARYL PYRIDOPYRIMIDONE DERIVATIVES Sanofi-Aventis (FR) 2009-11-25 EP disclosed
WO-2008078196-A2 SUBSTITUTED HETEROARYL PYRIDOPYRIMIDONE DERIVATIVES SANOFI-AVENTIS (FR) 2008-07-03 WO disclosed
EP-1939187-A1 Substituted heteroaryl pyridopyrimidone derivatives Sanofi-Aventis (FR) 2008-07-02 EP 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-20090306088-A1 SUBSTITUTED HETEROARYL PYRIDOPYRIMIDONE DERIVATIVES GSK3B, GSK3A, GSKIP PIK3CA 286/4885GABRA1 4019/4885GABRG2 4308/4885

“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.