SCHEMBL1375896

SCHEMBL1375896

CC(O)(c1cccnc1)c1cccnc1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 4/20 0.55
CYP3A4 P08684 3/20 0.55
CYP1A2 P05177 2/20 0.55
LMNA P02545 1/20 0.55
CYP11B1 P15538 1/20 0.55
CYP11B2 P19099 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
KCNA5 P22460 3/20 0.52
CYP3A5 P20815 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
HIF1A Q16665 1/20 0.47
KIF11 P52732 1/20 0.47

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
SCHEMBL30927960 0.94 KCNA5 (0.56) CYP19A1CYP3A4CYP1A2LMNACYP11B1
SCHEMBL29226694 0.94 KCNA5 (0.56) CYP19A1CYP3A4CYP1A2LMNACYP11B1
SCHEMBL19013951 0.94 KCNA5 (0.56) CYP19A1CYP3A4CYP1A2LMNACYP11B1
SCHEMBL29226475 0.87 CYP19A1 (0.51) CYP19A1CYP3A4CYP1A2LMNACYP11B1
SCHEMBL29226478 0.87 CYP19A1 (0.51) CYP19A1CYP3A4CYP1A2LMNACYP11B1
SCHEMBL14336119 0.87 CYP19A1 (0.49) CYP19A1CYP3A4CYP1A2LMNACYP11B1
SCHEMBL30927967 0.87 CYP19A1 (0.51) CYP19A1CYP3A4CYP1A2LMNACYP11B1
SCHEMBL11627293 0.87 CYP19A1 (0.72) CYP19A1CYP3A4CYP3A5
SCHEMBL2423712 0.86 CYP19A1 (0.55) CYP19A1CYP3A4CYP1A2LMNACYP11B1
SCHEMBL9547408 0.86 CYP19A1 (0.55) CYP19A1CYP3A4CYP1A2LMNACYP11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4719745-B2 2011-07-06 JP claimed
EP-1781635-A4 POTASSIUM CHANNEL INHIBITORS MERCK & CO INC (US) 2009-02-25 EP claimed
EP-1781635-A2 POTASSIUM CHANNEL INHIBITORS Merck & Co., Inc. (US) 2007-05-09 EP claimed
WO-2006015159-A2 POTASSIUM CHANNEL INHIBITORS MERCK & CO., INC. (US) 2006-02-09 WO claimed
US-10017501-B2 Benzimidazole derivatives as bromodomain inhibitors GILEAD SCIENCES, INC. (US) 2018-07-10 US disclosed
US-20180133212-A1 COMBINATION OF A BCL-2 INHIBITOR AND A BROMODOMAIN INHIBITOR FOR TREATING CANCER GILEAD SCIENCES, INC. 2018-05-17 US disclosed
WO-2017106568-A1 COMBINATION OF A JAK INHIBITOR AND A BROMODOMAIN INHIBITOR FOR TREATING CANCER GILEAD SCIENCES, INC. (US) 2017-06-22 WO disclosed
EP-1776355-A4 POTASSIUM CHANNEL INHIBITORS MERCK & CO INC (US) 2009-08-12 EP disclosed
EP-1781635-A4 POTASSIUM CHANNEL INHIBITORS MERCK & CO INC (US) 2009-02-25 EP disclosed
EP-1781635-A2 POTASSIUM CHANNEL INHIBITORS Merck & Co., Inc. (US) 2007-05-09 EP disclosed
EP-1776355-A2 POTASSIUM CHANNEL INHIBITORS Merck & Co., Inc. (US) 2007-04-25 EP disclosed
WO-2006015159-A2 POTASSIUM CHANNEL INHIBITORS MERCK & CO., INC. (US) 2006-02-09 WO disclosed
WO-2006014877-A2 POTASSIUM CHANNEL INHIBITORS MERCK & CO., INC. (US) 2006-02-09 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-20180133212-A1 COMBINATION OF A BCL-2 INHIBITOR AND A BROMODOMAIN INHIBITOR FOR TREATING CANCER BCL2, BAK1, BRD4 CYP19A1 4197/4885CYP3A4 4630/4885CYP1A2 4297/4885
US-10017501-B2 Benzimidazole derivatives as bromodomain inhibitors BRD4, BRD3, BRD1 CYP19A1 3054/4885CYP3A4 2135/4885CYP1A2 3097/4885

“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.