SCHEMBL4597939

SCHEMBL4597939

COc1cccc(CNc2c(Nc3ccc4ncsc4c3)c(=O)c2=O)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 4/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
POLB P06746 1/20 0.48
GSK3B P49841 4/20 0.45
ROCK1 Q13464 4/20 0.45
GSK3A P49840 3/20 0.45
ROCK2 O75116 3/20 0.45
PRKG1 Q13976 3/20 0.45
CLK4 Q9HAZ1 3/20 0.45
PLK1 P53350 1/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
HIF1A Q16665 1/20 0.42
INSR P06213 2/20 0.42
TEK Q02763 2/20 0.42
CSF1R P07333 1/20 0.42
PDGFRB P09619 1/20 0.42
PDGFRA P16234 1/20 0.42
IRAK4 Q9NWZ3 1/20 0.42

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
SCHEMBL4597033 0.85 KDR (0.52) KDRMEN1KMT2AGSK3BROCK1
SCHEMBL4598466 0.78 GSK3B (0.52) KDRMEN1KMT2APOLBGSK3B
SCHEMBL4911196 0.77 MEN1 (0.55) MEN1KMT2APOLBGSK3BROCK1
SCHEMBL4598968 0.77 RPS6KB1 (0.43) KDRGSK3BROCK1GSK3AROCK2
SCHEMBL28639993 0.76 SYK (0.48) KDRGSK3BCLK4PLK1INSR
SCHEMBL4906875 0.76 KMT2A (0.53) KDRMEN1KMT2APOLBGSK3B
SCHEMBL30513613 0.76 SYK (0.48) KDRGSK3BCLK4PLK1INSR
SCHEMBL3226641 0.75 MAPT (0.58) MEN1KMT2APOLBROCK1NPC1
SCHEMBL4917000 0.75 MEN1 (0.52) KDRMEN1KMT2APOLBGSK3B
SCHEMBL4917020 0.75 MAPT (0.55) KDRMEN1KMT2APOLBGSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080234266-A1 Squaric Acid Derivatives II MERCK PATENT GESELLSCHAFT (DE) 2008-09-25 US claimed
EP-1910312-A1 QUADRATIC ACID II DERIVATIVES Merck Patent GmbH (DE) 2008-04-16 EP claimed
EP-1786860-B1 IN-CAN STABILIZERS CIBA SC HOLDING AG (CH) 2008-03-26 EP claimed
WO-2007014608-A1 QUADRATIC ACID II DERIVATIVES MERCK PATENT GMBH (DE) 2007-02-08 WO claimed

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-20080234266-A1 Squaric Acid Derivatives II CHEK2, CHEK1, SGK3 KDR 2703/4885MEN1 2856/4885KMT2A 1807/4885

“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.