SCHEMBL4538709

SCHEMBL4538709

Nc1c(Nc2ccncc2)c(=O)c1=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 11/20 0.50
ROCK1 Q13464 8/20 0.50
CHEK2 O96017 7/20 0.50
CDC42BPA Q5VT25 7/20 0.50
GSK3A P49840 6/20 0.50
GSK3B P49841 6/20 0.50
CSNK1G3 Q9Y6M4 6/20 0.50
CHEK1 O14757 5/20 0.50
CSNK1G1 Q9HCP0 5/20 0.50
PKN2 Q16513 5/20 0.50
CSNK1G2 P78368 4/20 0.50
CLK4 Q9HAZ1 4/20 0.50
PLK1 P53350 4/20 0.50
MKNK2 Q9HBH9 4/20 0.50
ROCK2 O75116 4/20 0.50
STK17A Q9UEE5 3/20 0.50
DAPK3 O43293 3/20 0.50
PIM1 P11309 3/20 0.50
PLK3 Q9H4B4 3/20 0.50
PRKX P51817 2/20 0.50

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
SCHEMBL17427536 0.79 CXCR2 (0.52) PLK1CYP3A4CYP2C9MAPK1CYP2D6
SCHEMBL7913081 0.79 HDAC3 (0.46) MAPKAPK2ROCK1CSNK1G1AURKBCYP2C9
SCHEMBL7346763 0.78 TDO2 (0.50) RAD52MAPK1PRKCI
SCHEMBL21597116 0.76 MAPT (0.50) ROCK1CHEK2CDC42BPAGSK3AGSK3B
SCHEMBL18028562 0.76 IDO1 (0.44) MAPKAPK2PRKCZPRKCDPRKCGPRKCI
SCHEMBL24872319 0.76 ROCK1 (0.58) MAPKAPK2ROCK1CHEK2CDC42BPAGSK3A
SCHEMBL17427534 0.76 HDAC1 (0.46) ROCK1CHEK2CDC42BPAGSK3AGSK3B
SCHEMBL7905958 0.76 PLK1 (0.50) PLK1MKNK2AURKBPRKCDCYP3A4
SCHEMBL7905834 0.73 CXCR2 (0.45) PLK1CYP3A4CYP2C9MAPK1
SCHEMBL7905856 0.71 BUB1 (0.45) MAPKAPK2ROCK1CHEK2GSK3AGSK3B

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
WO-2018075600-A1 TARGETED DELIVERY OF NICOTINAMIDE ADENINE DINUCLEOTIDE SALVAGE PATHWAY INHIBITORS SEATTLE GENETICS, INC. (US) 2018-04-26 WO disclosed
WO-2009012375-A2 SQUARATE KINASE INHIBITORS WYETH (US) 2009-01-22 WO disclosed
EP-1358160-A1 AMINAL DIONES AS POTASSIUM CHANNEL OPENERS Abbott Laboratories (US) 2003-11-05 EP disclosed
US-6495576-B2 N-(1-((3,4-DIOXO-2-(3-PYRIDINYLAMINO)-1-CYCLOBUTEN-1-YL)AMINO) -2,2-DIMETHYLPROPYL)-4-METHYLBENZAMIDE FOR EXAMPLE; TREATING BLADDER OVERACTIVITY, BENIGN PROSTATIC HYPERPLASIA, PREMATURE LABOR, AND SEXUAL DISORDERS ABBOTT LABORATORIES 2002-12-17 US disclosed
US-20020165264-A1 Aminal diones as potassium channel openers ABBOTT LABORATORIES 2002-11-07 US disclosed
WO-2002062761-A1 AMINAL DIONES AS POTASSIUM CHANNEL OPENERS ABBOTT LABORATORIES (US) 2002-08-15 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-20020165264-A1 Aminal diones as potassium channel openers KCNJ2, KCNJ11, KCNH1 MAPKAPK2 2283/4885ROCK1 4232/4885CHEK2 3694/4885

“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.