SCHEMBL768871

SCHEMBL768871

CN1C(=O)Cc2cc(-c3cccnc3)c(C#N)cc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 11/20 0.56
CYP11B1 P15538 8/20 0.56
CYP19A1 P11511 5/20 0.56
CYP3A4 P08684 2/20 0.56
CYP1A2 P05177 2/20 0.51
CYP17A1 P05093 1/20 0.51
XDH P47989 1/20 0.43
CTSD P07339 1/20 0.42
BACE1 P56817 1/20 0.42
BACE2 Q9Y5Z0 1/20 0.42
BMPR1B O00238 2/20 0.41
BMPR1A P36894 2/20 0.41
ACVRL1 P37023 2/20 0.41
ACVR1 Q04771 2/20 0.41
TGFBR1 P36897 1/20 0.41
SCN9A Q15858 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
HPGD P15428 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
SCHEMBL769293 0.82 CYP11B2 (0.58) CYP11B2CYP11B1CYP19A1CYP3A4CYP1A2
SCHEMBL777575 0.80 CYP11B2 (0.55) CYP11B2CYP11B1CYP19A1CYP3A4CYP1A2
SCHEMBL768644 0.79 CYP11B2 (0.53) CYP11B2CYP11B1CYP19A1CYP3A4CYP1A2
SCHEMBL17809672 0.78 CYP11B2 (0.45) CYP11B2CYP11B1CYP19A1CYP3A4CYP1A2
SCHEMBL768787 0.78 CYP11B2 (0.49) CYP11B2CYP11B1CYP19A1CYP3A4CYP1A2
SCHEMBL769062 0.76 CYP11B1 (0.78) CYP11B2CYP11B1CYP19A1CYP3A4CYP1A2
SCHEMBL768885 0.76 CYP11B2 (0.54) CYP11B2CYP11B1CYP19A1CYP1A2CYP17A1
SCHEMBL746934 0.74 CYP11B2 (0.60) CYP11B2CYP11B1CYP19A1CYP1A2
SCHEMBL10694299 0.74 CYP11B1 (0.54) CYP11B2CYP11B1CYP19A1CYP3A4CYP1A2
SCHEMBL10697238 0.74 CYP11B1 (0.54) CYP11B2CYP11B1CYP19A1CYP3A4CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102459223-B 5-pyridin-3-yl-1, 3-dihydro-indol-2-one derivatives and their use as aldosterone synthase and/or CYP11B1 modulators NOVARTIS AG 2014-11-05 CN 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
CN-102459223-A 5-pyridin-3-yl-1, 3-dihydro-indol-2-one derivatives and their use as aldosterone synthase and/or CYP11B1 modulators NOVARTIS AG 2012-05-16 CN 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 CYP11B2 1/4885CYP11B1 2/4885CYP19A1 46/4885
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 CYP11B2 3/4885CYP11B1 1/4885CYP19A1 41/4885

“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.