SCHEMBL6990891

SCHEMBL6990891

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 6/20 0.47
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
ABCC9 O60706 3/20 0.44
KCNJ11 Q14654 3/20 0.44
ABCC8 Q09428 2/20 0.44
KCNJ8 Q15842 2/20 0.44
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TBXA2R P21731 1/20 0.40
TBXAS1 P24557 1/20 0.40
CHEK1 O14757 2/20 0.40
PLK1 P53350 2/20 0.40
CDC7 O00311 1/20 0.40
PLK4 O00444 1/20 0.40
DAPK3 O43293 1/20 0.40
ROCK2 O75116 1/20 0.40
CHEK2 O96017 1/20 0.40

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
SCHEMBL6985809 0.89 ALDH1A1 (0.47) MAPKAPK2CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL6988075 0.89 MAPKAPK2 (0.47) MAPKAPK2CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL6982343 0.89 CYP1A2 (0.56) MAPKAPK2CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL6991578 0.89 ABCC9 (0.51) MAPKAPK2CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL6983541 0.89 MAPKAPK2 (0.52) MAPKAPK2CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL6984652 0.89 ABCC9 (0.51) MAPKAPK2CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL6987126 0.89 CYP1A2 (0.46) MAPKAPK2CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL6989026 0.89 ABCC9 (0.49) MAPKAPK2CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL6988709 0.89 CYP1A2 (0.46) MAPKAPK2CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL6989283 0.88 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 10 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
US-20020147230-A1 Aminal Diones as potassium channel openers ABBOTT LABORATORIES 2002-10-10 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
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 2283/4885CYP1A2 688/4885CYP3A4 1236/4885
US-20020165264-A1 Aminal diones as potassium channel openers KCNJ2, KCNJ11, KCNH1 MAPKAPK2 2283/4885CYP1A2 688/4885CYP3A4 1236/4885

“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.