SCHEMBL768667

SCHEMBL768667

Cc1ccncc1-c1ccc2c(c1Cl)CC(=O)N2C

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 7/20 0.36
CYP11B2 P19099 7/20 0.36
CYP17A1 P05093 6/20 0.35
CYP1A2 P05177 4/20 0.35
PTGS2 P35354 2/20 0.35
CYP19A1 P11511 1/20 0.33
ROCK1 Q13464 1/20 0.33
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
CDC25B P30305 1/20 0.33
BMPR1B O00238 2/20 0.32
BMPR1A P36894 2/20 0.32
ACVRL1 P37023 2/20 0.32
ACVR1 Q04771 2/20 0.32
TGFBR1 P36897 1/20 0.32
PTGS1 P23219 1/20 0.32

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
SCHEMBL768995 0.82 CYP11B1 (0.35) CYP11B1CYP11B2ROCK1BMPR1BBMPR1A
SCHEMBL751165 0.80 CYP11B2 (0.49) CYP11B1CYP11B2CYP17A1CYP1A2CYP19A1
SCHEMBL769240 0.76 CYP11B1 (0.41) CYP11B1CYP11B2CYP1A2BMPR1BBMPR1A
SCHEMBL748248 0.76 CYP11B1 (0.36) CYP11B1CYP11B2ROCK1BMPR1BBMPR1A
SCHEMBL768678 0.75 CYP11B1 (0.50) CYP11B1CYP11B2CYP17A1CYP1A2CYP19A1
SCHEMBL769387 0.74 LMNA (0.41) CYP11B1CYP11B2BMPR1BBMPR1AACVRL1
SCHEMBL769391 0.73 CYP11B1 (0.55) CYP11B1CYP11B2CYP17A1CYP1A2CYP19A1
SCHEMBL750894 0.72 BMPR1A (0.40) CYP11B1CYP11B2CYP1A2BMPR1BBMPR1A
SCHEMBL749146 0.72 BMPR1A (0.40) CYP11B1CYP11B2BMPR1BBMPR1AACVRL1
SCHEMBL769004 0.72 CYP11B2 (0.44) CYP11B1CYP11B2CYP17A1BMPR1BBMPR1A

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
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 CYP11B1 2/4885CYP11B2 1/4885CYP17A1 55/4885
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 CYP11B1 1/4885CYP11B2 3/4885CYP17A1 10/4885

“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.