SCHEMBL4597016

SCHEMBL4597016

CC[C@@H](Nc1c(Nc2ccc3[nH]cnc3c2)c(=O)c1=O)c1cccc(OC)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 1/20 0.47
MEN1 O00255 1/20 0.46
POLB P06746 1/20 0.46
KMT2A Q03164 1/20 0.46
QPCT Q16769 5/20 0.40
CXCR2 P25025 8/20 0.38
CDK1 P06493 1/20 0.37
ROCK2 O75116 1/20 0.37
GSK3A P49840 1/20 0.37
GSK3B P49841 1/20 0.37
ROCK1 Q13464 1/20 0.37
PRKG1 Q13976 1/20 0.37
CLK4 Q9HAZ1 1/20 0.37
CXCR1 P25024 2/20 0.36
MMP12 P39900 1/20 0.36
NPC1 O15118 1/20 0.35
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL4906078 1.00 MAPKAPK2 (0.47) MAPKAPK2MEN1POLBKMT2AQPCT
SCHEMBL4598396 0.93 QPCT (0.49) MAPKAPK2MEN1POLBKMT2AQPCT
SCHEMBL4908999 0.89 MAPKAPK2 (0.58) MAPKAPK2MEN1POLBKMT2AQPCT
SCHEMBL4598170 0.89 MAPKAPK2 (0.58) MAPKAPK2MEN1POLBKMT2AQPCT
SCHEMBL4599129 0.89 MAPKAPK2 (0.45) MAPKAPK2QPCTCXCR2ROCK1CXCR1
SCHEMBL4598655 0.84 MAPKAPK2 (0.41) MAPKAPK2MEN1POLBKMT2AQPCT
SCHEMBL4910847 0.81 MAPKAPK2 (0.42) MAPKAPK2MEN1POLBKMT2AQPCT
SCHEMBL4598466 0.80 GSK3B (0.52) MEN1POLBKMT2AQPCTCDK1
SCHEMBL4906181 0.79 MAPKAPK2 (0.40) MAPKAPK2MEN1POLBKMT2AQPCT
SCHEMBL4908818 0.77 MAPKAPK2 (0.42) MAPKAPK2POLBQPCTCXCR2ROCK1

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 6 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
WO-2007014608-A1 QUADRATIC ACID II DERIVATIVES MERCK PATENT GMBH (DE) 2007-02-08 WO claimed
US-20080234266-A1 Squaric Acid Derivatives II MERCK PATENT GESELLSCHAFT (DE) 2008-09-25 US disclosed
US-20080234266-A1 Squaric Acid Derivatives II MERCK PATENT GESELLSCHAFT (DE) 2008-09-25 US disclosed
WO-2007014608-A1 QUADRATIC ACID II DERIVATIVES MERCK PATENT GMBH (DE) 2007-02-08 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-20080234266-A1 Squaric Acid Derivatives II CHEK2, CHEK1, SGK3 MAPKAPK2 346/4885MEN1 2856/4885POLB 1089/4885

“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.