SCHEMBL6983541

SCHEMBL6983541

CC(C)(C)C(NC(=O)c1cccnc1)Nc1c(Nc2cccnc2)c(=O)c1=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 1/20 0.52
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
CYP3A4 P08684 2/20 0.51
CYP2C9 P11712 2/20 0.51
CYP2C19 P33261 2/20 0.51
CYP1A2 P05177 1/20 0.51
ABCC9 O60706 3/20 0.49
ABCC8 Q09428 3/20 0.49
KCNJ11 Q14654 3/20 0.49
KCNJ8 Q15842 3/20 0.49
LMNA P02545 2/20 0.47
HIF1A Q16665 1/20 0.47
PLK1 P53350 3/20 0.43
CHEK1 O14757 2/20 0.43
CDC7 O00311 1/20 0.43
PLK4 O00444 1/20 0.43
DAPK3 O43293 1/20 0.43
ROCK2 O75116 1/20 0.43
CHEK2 O96017 1/20 0.43

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
SCHEMBL6989283 0.94 ABCC9 (0.51) MAPKAPK2MEN1KMT2ACYP3A4CYP2C9
SCHEMBL7555212 0.92 ABCC9 (0.51) MAPKAPK2MEN1KMT2ACYP3A4CYP2C9
SCHEMBL6988178 0.90 NAMPT (0.52) MAPKAPK2MEN1KMT2ACYP3A4CYP2C9
SCHEMBL6985809 0.90 ALDH1A1 (0.47) MAPKAPK2MEN1KMT2ACYP3A4CYP2C9
SCHEMBL6982343 0.90 CYP1A2 (0.56) MAPKAPK2MEN1KMT2ACYP3A4CYP2C9
SCHEMBL6988075 0.90 MAPKAPK2 (0.47) MAPKAPK2MEN1KMT2ACYP3A4CYP2C9
SCHEMBL6981921 0.89 ABCC9 (0.64) MAPKAPK2MEN1KMT2ACYP3A4CYP2C9
SCHEMBL6991578 0.89 ABCC9 (0.51) MAPKAPK2MEN1KMT2ACYP3A4CYP2C9
SCHEMBL6985063 0.89 MAPKAPK2 (0.44) MAPKAPK2MEN1KMT2ACYP3A4CYP2C9
SCHEMBL6988709 0.89 CYP1A2 (0.46) MAPKAPK2MEN1KMT2ACYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
US-20020147230-A1 Aminal Diones as potassium channel openers ABBOTT LABORATORIES 2002-10-10 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 (2 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-20020147230-A1 Aminal Diones as potassium channel openers KCNJ2, KCNJ11, KCNH1 MAPKAPK2 2283/4885MEN1 773/4885KMT2A 1875/4885
US-20020165264-A1 Aminal diones as potassium channel openers KCNJ2, KCNJ11, KCNH1 MAPKAPK2 2283/4885MEN1 773/4885KMT2A 1875/4885

“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.