SCHEMBL6984022

SCHEMBL6984022

CC(C)(C)C(NC(=O)c1cccc(-c2ccco2)c1)Nc1c(Nc2cccnc2)c(=O)c1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 2/20 0.42
PDGFRA P16234 1/20 0.42
MAPK1 P28482 1/20 0.42
AURKB Q96GD4 1/20 0.42
CSNK1G1 Q9HCP0 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
BLK P51451 1/20 0.40
BTK Q06187 1/20 0.40
ABCC9 O60706 1/20 0.40
ABCC8 Q09428 1/20 0.40
KCNJ11 Q14654 1/20 0.40
KCNJ8 Q15842 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ALOX15 P16050 1/20 0.39
HSD17B10 Q99714 1/20 0.39
KEAP1 Q14145 1/20 0.38

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
SCHEMBL6987782 0.91 ABCC9 (0.46) MAPKAPK2PDGFRAMAPK1AURKBCSNK1G1
SCHEMBL6988709 0.89 CYP1A2 (0.46) MAPKAPK2CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL6985737 0.88 MAPKAPK2 (0.48) MAPKAPK2CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL6988075 0.84 MAPKAPK2 (0.47) MAPKAPK2CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL6982343 0.84 CYP1A2 (0.56) MAPKAPK2MAPK1AURKBCYP1A2CYP3A4
SCHEMBL6985809 0.84 ALDH1A1 (0.47) MAPKAPK2CSNK1G1CYP1A2CYP3A4CYP2C9
SCHEMBL6983541 0.83 MAPKAPK2 (0.52) MAPKAPK2CSNK1G1CYP1A2CYP3A4CYP2C9
SCHEMBL6987126 0.83 CYP1A2 (0.46) MAPKAPK2CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL6990891 0.83 MAPKAPK2 (0.47) MAPKAPK2CSNK1G1CYP1A2CYP3A4CYP2C9
SCHEMBL6984652 0.83 ABCC9 (0.51) MAPKAPK2CYP1A2CYP3A4CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1358160-A1 AMINAL DIONES AS POTASSIUM CHANNEL OPENERS Abbott Laboratories (US) 2003-11-05 EP claimed
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 claimed
US-20020165264-A1 Aminal diones as potassium channel openers ABBOTT LABORATORIES 2002-11-07 US claimed
WO-2002062761-A1 AMINAL DIONES AS POTASSIUM CHANNEL OPENERS ABBOTT LABORATORIES (US) 2002-08-15 WO claimed
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 2283/4885PDGFRA 2757/4885MAPK1 861/4885

“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.