SCHEMBL768881

SCHEMBL768881

Cn1c(=O)n(C)c2cc(-c3cccnc3)ccc21

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 5/20 0.58
▸ CYP11B1 P15538 5/20 0.50
▸ CYP11B2 P19099 5/20 0.50
▸ CYP1A2 P05177 2/20 0.50
▸ CYP17A1 P05093 1/20 0.50
▸ CYP19A1 P11511 1/20 0.50
▸ NR4A2 P43354 1/20 0.48
▸ CHEK1 O14757 1/20 0.47
▸ HTR1D P28221 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ CYP2A6 P11509 1/20 0.47
▸ KCNH2 Q12809 1/20 0.47
▸ ATM Q13315 1/20 0.47
▸ ATR Q13535 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
SCHEMBL1422499 0.82 NPC1 (0.58) ALDH1A1
SCHEMBL31743102 0.79 HTR1D (0.54) CYP11B1CYP11B2CYP1A2CYP17A1CYP19A1
SCHEMBL7271260 0.78 CYP11B2 (0.56) CYP11B1CYP11B2CYP1A2CYP17A1CYP19A1
SCHEMBL745069 0.78 TNIK (0.57) CYP11B1CYP11B2CYP1A2CYP17A1CYP19A1
SCHEMBL746136 0.77 SIRT6 (0.49) CYP11B1CYP11B2CYP1A2CYP17A1CYP19A1
SCHEMBL782951 0.77 CYP19A1 (0.55) CYP11B1CYP11B2CYP1A2CYP17A1CYP19A1
SCHEMBL13506993 0.76 NR4A2 (0.46) CYP11B1CYP11B2CYP1A2CYP17A1CYP19A1
SCHEMBL10145973 0.74 MAPK14 (0.48) MAPK14ALDH1A1
SCHEMBL30896317 0.73 MAPK14 (0.47) MAPK14ALDH1A1
SCHEMBL10567800 0.73 CYP2A6 (0.50) CYP11B1CYP11B2CYP1A2CYP17A1CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140275175-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2014-09-18 — — US disclosed
US-20140275175-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2014-09-18 — — US disclosed
US-20140275175-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2014-09-18 — — US disclosed
US-8778972-B2 5-pyridin-3-yl-1, 3-dihydro-indol-2-on derivatives and their use as modulators of aldosterone synthase and/or CYP11B1 NOVARTIS AG (CH) 2014-07-15 — — US disclosed
US-8778972-B2 5-pyridin-3-yl-1, 3-dihydro-indol-2-on derivatives and their use as modulators of aldosterone synthase and/or CYP11B1 NOVARTIS AG (CH) 2014-07-15 — — US disclosed
US-8778972-B2 5-pyridin-3-yl-1, 3-dihydro-indol-2-on derivatives and their use as modulators of aldosterone synthase and/or CYP11B1 NOVARTIS AG (CH) 2014-07-15 — — US disclosed
US-20120071512-A1 5-PYRIDIN-3-YL-1, 3-DIHYDRO-INDOL-2-ON DERIVATIVES AND THEIR USE AS MODULATORS OF ALDOSTERONE SYNTHASE AND/OR CYP11B1 NOVARTIS AG (CH) 2012-03-22 — — US disclosed
US-20120071512-A1 5-PYRIDIN-3-YL-1, 3-DIHYDRO-INDOL-2-ON DERIVATIVES AND THEIR USE AS MODULATORS OF ALDOSTERONE SYNTHASE AND/OR CYP11B1 NOVARTIS AG (CH) 2012-03-22 — — US disclosed
US-20120071512-A1 5-PYRIDIN-3-YL-1, 3-DIHYDRO-INDOL-2-ON DERIVATIVES AND THEIR USE AS MODULATORS OF ALDOSTERONE SYNTHASE AND/OR CYP11B1 NOVARTIS AG (CH) 2012-03-22 — — US 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-20140275175-A1 ORGANIC COMPOUNDS CYP11B2, CYP11B1, SLCO1B1 MAPK14 4344/4885CYP11B1 2/4885CYP11B2 1/4885
US-20120071512-A1 5-PYRIDIN-3-YL-1, 3-DIHYDRO-INDOL-2-ON DERIVATIVES AND THEIR USE AS MODULATORS OF ALDOSTERONE SYNTHASE AND/OR CYP11B1 CYP11B1, HSD11B1, CYP11B2 MAPK14 1074/4885CYP11B1 1/4885CYP11B2 3/4885

“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.

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