SCHEMBL4169583

SCHEMBL4169583

N#Cc1cccc(C([NH])=O)c1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.61
GRM5 P41594 1/20 0.48
CLK1 P49759 1/20 0.46
DYRK1A Q13627 1/20 0.46
DYRK1B Q9Y463 1/20 0.46
ENPP2 Q13822 1/20 0.46
P4HB P07237 3/20 0.45
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 1/20 0.45
MAPT P10636 1/20 0.45
KMT2A Q03164 1/20 0.45
S1PR3 Q99500 1/20 0.45
VNN1 O95497 3/20 0.44
IRAK4 Q9NWZ3 1/20 0.44
KAT6A Q92794 1/20 0.43
CLK4 Q9HAZ1 1/20 0.43
ELANE P08246 1/20 0.43
XDH P47989 1/20 0.42
SLC22A12 Q96S37 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
SCHEMBL4083136 0.83 GSK3B (0.58) GSK3BGRM5CLK1DYRK1ADYRK1B
SCHEMBL2164429 0.82 GSK3B (0.62) GSK3BGRM5CLK1DYRK1ADYRK1B
SCHEMBL60691 0.82 GSK3B (0.62) GSK3BGRM5XDHSLC22A12
SCHEMBL29441888 0.82 GSK3B (0.62) GSK3BGRM5XDHSLC22A12
SCHEMBL1679846 0.82 GSK3B (0.41) GSK3BGRM5
SCHEMBL23079142 0.80 GSK3B (0.61) GSK3BGRM5CLK1DYRK1ADYRK1B
SCHEMBL2041048 0.80 GSK3B (0.61) GSK3BGRM5CLK1DYRK1ADYRK1B
SCHEMBL39137 0.80 GSK3B (0.61) GSK3BGRM5CLK1DYRK1ADYRK1B
SCHEMBL11706688 0.80 GSK3B (0.61) GSK3BGRM5XDHSLC22A12
SCHEMBL11673528 0.80 GSK3B (0.66) GSK3BGRM5CLK1DYRK1ADYRK1B

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-20090036449-A1 Indazolesquaric Acid Derivatives as Chk1, Chk2 and Sgk Inhibitors MERCK PATENT GMBH (DE) 2009-02-05 US disclosed
EP-1866288-A1 INDAZOLE SQUARIC ACID DERIVATIVES AS CHK1-, CHK2- AND SGK- INHIBITORS Merck Patent GmbH (DE) 2007-12-19 EP disclosed
WO-2006105865-A1 INDAZOLE SQUARIC ACID DERIVATIVES AS CHK1-, CHK2- AND SGK- INHIBITORS MERCK PATENT GMBH (DE) 2006-10-12 WO disclosed
US-5332811-A Antitumor intermediates THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 1994-07-26 US disclosed
EP-0014567-B1 PROCESSES FOR PREPARATION OF BETA-LACTAM COMPOUNDS ELI LILLY AND COMPANY (US) 1984-01-18 EP disclosed
US-4271305-A ANTIBIOTICS ELI LILLY AND COMPANY (US) 1981-06-02 US disclosed
US-4226986-A 7-ACYLAMINO-3-HYDROXY-3-CEPHEM COMPOUND, TRIARYL PHOSPHITE DIHALIDE ELI LILLY AND COMPANY (US) 1980-10-07 US disclosed
US-4223133-A USING A TRIARYL PHOSPHITE-HALOGEN COMPLEX ELI LILLY AND COMPANY (US) 1980-09-16 US disclosed
EP-0014567-A1 Processes for preparation of beta-lactam compounds ELI LILLY AND COMPANY (US) 1980-08-20 EP disclosed
US-4211702-A TRIARYLPHOSPHITE-HALOGEN COMPLEX HALOGENATING AGENT ELI LILLY AND COMPANY (US) 1980-07-08 US 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-20090036449-A1 Indazolesquaric Acid Derivatives as Chk1, Chk2 and Sgk Inhibitors CHEK2, CHEK1, SIK2 GSK3B 311/4885GRM5 3280/4885CLK1 38/4885

“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.