SCHEMBL769135

SCHEMBL769135

COc1c(-c2cncc(F)c2)ccc2c1CC(=O)N2C

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 1/20 0.42
PARP11 Q9NR21 1/20 0.42
CYP11B2 P19099 8/20 0.41
CYP11B1 P15538 7/20 0.41
CYP1A2 P05177 1/20 0.41
CYP17A1 P05093 1/20 0.40
ACVRL1 P37023 10/20 0.40
ACVR1 Q04771 10/20 0.40
BMPR1A P36894 9/20 0.40
BMPR1B O00238 8/20 0.40
TGFBR1 P36897 3/20 0.40
CYP3A4 P08684 1/20 0.37
CYP19A1 P11511 1/20 0.37
PRF1 P14222 1/20 0.35

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
SCHEMBL750180 0.86 CYP11B1 (0.41) CYP11B2CYP11B1CYP1A2ACVRL1ACVR1
SCHEMBL768493 0.86 CYP11B1 (0.41) CYP11B2CYP11B1CYP1A2ACVRL1ACVR1
SCHEMBL769004 0.84 CYP11B2 (0.44) PARP10PARP11CYP11B2CYP11B1CYP17A1
SCHEMBL769159 0.83 CYP11B1 (0.41) CYP11B2CYP11B1CYP1A2ACVRL1ACVR1
SCHEMBL768752 0.82 PARP10 (0.41) PARP10PARP11CYP11B2CYP11B1ACVRL1
SCHEMBL749006 0.81 CYP11B2 (0.54) PARP10PARP11CYP11B2CYP11B1CYP1A2
SCHEMBL777590 0.80 ACVR1 (0.36) CYP11B2CYP11B1CYP1A2ACVRL1ACVR1
SCHEMBL769108 0.75 CYP11B1 (0.34) CYP11B2CYP11B1CYP1A2ACVRL1ACVR1
SCHEMBL745958 0.74 ACVRL1 (0.67) CYP11B2CYP11B1ACVRL1ACVR1BMPR1A
SCHEMBL768797 0.73 CYP11B1 (0.48) PARP10PARP11CYP11B2CYP11B1CYP1A2

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-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-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 PARP10 2258/4885PARP11 1840/4885CYP11B2 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 PARP10 1356/4885PARP11 543/4885CYP11B2 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.