SCHEMBL768752

SCHEMBL768752

CN1C(=O)Cc2c1ccc(-c1cncc(F)c1)c2C1CC1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 1/20 0.41
PARP11 Q9NR21 1/20 0.41
CYP11B1 P15538 6/20 0.40
CYP11B2 P19099 6/20 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 4/20 0.39
BACE1 P56817 1/20 0.37
BACE2 Q9Y5Z0 1/20 0.37
ROCK2 O75116 2/20 0.37
ROCK1 Q13464 2/20 0.37
CDC42BPB Q9Y5S2 2/20 0.37
CYP19A1 P11511 1/20 0.37

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
SCHEMBL743753 0.86 ACVRL1 (0.40) CYP11B1CYP11B2ACVRL1ACVR1BMPR1A
SCHEMBL768966 0.86 LMNA (0.41) CYP11B1CYP11B2ACVRL1ACVR1BMPR1A
SCHEMBL769004 0.83 CYP11B2 (0.44) PARP10PARP11CYP11B1CYP11B2ACVRL1
SCHEMBL769508 0.83 ACVRL1 (0.38) CYP11B1CYP11B2ACVRL1ACVR1BMPR1A
SCHEMBL769135 0.82 PARP10 (0.42) PARP10PARP11CYP11B1CYP11B2ACVRL1
SCHEMBL750475 0.81 CYP11B1 (0.47) PARP10PARP11CYP11B1CYP11B2CYP19A1
SCHEMBL768670 0.76 ACVRL1 (0.39) CYP11B1CYP11B2ACVRL1ACVR1BMPR1A
SCHEMBL745958 0.73 ACVRL1 (0.67) CYP11B1CYP11B2ACVRL1ACVR1BMPR1A
SCHEMBL15463791 0.71 CYP11B2 (0.60) PARP10PARP11CYP11B1CYP11B2CYP19A1
SCHEMBL769387 0.71 LMNA (0.41) CYP11B1CYP11B2ACVRL1ACVR1BMPR1A

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 PARP10 2258/4885PARP11 1840/4885CYP11B1 2/4885
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 543/4885CYP11B1 1/4885

“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.