SCHEMBL777590

SCHEMBL777590

COc1c(-c2cncc(F)c2C)ccc2c1CC(=O)N2C

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACVR1 Q04771 6/20 0.36
BMPR1A P36894 5/20 0.36
ACVRL1 P37023 5/20 0.36
BMPR1B O00238 4/20 0.36
CYP11B2 P19099 13/20 0.36
CYP11B1 P15538 11/20 0.36
CYP1A2 P05177 1/20 0.34
TGFBR1 P36897 3/20 0.33
CYP3A4 P08684 2/20 0.31
CYP19A1 P11511 1/20 0.31

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
SCHEMBL769108 0.86 CYP11B1 (0.34) ACVR1BMPR1AACVRL1BMPR1BCYP11B2
SCHEMBL769135 0.80 PARP10 (0.42) ACVR1BMPR1AACVRL1BMPR1BCYP11B2
SCHEMBL750180 0.75 CYP11B1 (0.41) ACVR1BMPR1AACVRL1BMPR1BCYP11B2
SCHEMBL768493 0.75 CYP11B1 (0.41) ACVR1BMPR1AACVRL1BMPR1BCYP11B2
SCHEMBL749006 0.75 CYP11B2 (0.54) CYP11B2CYP11B1CYP1A2CYP3A4CYP19A1
SCHEMBL769159 0.73 CYP11B1 (0.41) ACVR1BMPR1AACVRL1BMPR1BCYP11B2
SCHEMBL768995 0.71 CYP11B1 (0.35) ACVR1BMPR1AACVRL1BMPR1BCYP11B2
SCHEMBL751599 0.69 LMNA (0.38) CYP11B2CYP11B1CYP1A2
SCHEMBL768797 0.67 CYP11B1 (0.48) ACVR1BMPR1AACVRL1BMPR1BCYP11B2
SCHEMBL769021 0.65 ACVRL1 (0.40) ACVR1BMPR1AACVRL1BMPR1BCYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-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 ACVR1 522/4885BMPR1A 2435/4885ACVRL1 950/4885

“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.