SCHEMBL6989026

SCHEMBL6989026

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 3/20 0.49
KCNJ11 Q14654 3/20 0.49
BRAF P15056 1/20 0.47
CYP3A4 P08684 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
CSF1R P07333 1/20 0.45
MAPKAPK2 P49137 3/20 0.44
ABCC8 Q09428 2/20 0.44
KCNJ8 Q15842 2/20 0.44
CDK5 Q00535 1/20 0.43
CDK5R1 Q15078 1/20 0.43
TAAR1 Q96RJ0 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
AGTR1 P30556 1/20 0.41
OPRK1 P41145 1/20 0.41
RAB9A P51151 1/20 0.41
TBXA2R P21731 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
SCHEMBL6987810 0.92 ABCC9 (0.47) ABCC9KCNJ11BRAFCYP3A4CYP1A2
SCHEMBL6982343 0.89 CYP1A2 (0.56) ABCC9KCNJ11BRAFCYP3A4CYP1A2
SCHEMBL6988075 0.89 MAPKAPK2 (0.47) ABCC9KCNJ11CYP3A4CYP1A2CYP2C9
SCHEMBL6985809 0.89 ALDH1A1 (0.47) ABCC9KCNJ11CYP3A4CYP1A2CYP2C9
SCHEMBL6983541 0.89 MAPKAPK2 (0.52) ABCC9KCNJ11CYP3A4CYP1A2CYP2C9
SCHEMBL6988709 0.89 CYP1A2 (0.46) ABCC9KCNJ11CYP3A4CYP1A2CYP2C9
SCHEMBL6984652 0.89 ABCC9 (0.51) ABCC9KCNJ11BRAFCYP3A4CYP1A2
SCHEMBL6990891 0.89 MAPKAPK2 (0.47) ABCC9KCNJ11CYP3A4CYP1A2CYP2C9
SCHEMBL6987126 0.89 CYP1A2 (0.46) ABCC9KCNJ11CYP3A4CYP1A2CYP2C9
SCHEMBL6989283 0.88 ABCC9 (0.51) ABCC9KCNJ11CYP3A4CYP1A2CYP2C9

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 ABCC9 1043/4885KCNJ11 2/4885BRAF 4444/4885
US-20020165264-A1 Aminal diones as potassium channel openers KCNJ2, KCNJ11, KCNH1 ABCC9 1043/4885KCNJ11 2/4885BRAF 4444/4885

“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.