SCHEMBL768885

SCHEMBL768885

CN1C(=O)Cc2cc(-c3cnccc3C#N)ccc21

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 7/20 0.54
CYP11B1 P15538 6/20 0.54
BMPR1A P36894 12/20 0.52
ACVRL1 P37023 12/20 0.52
ACVR1 Q04771 12/20 0.52
BMPR1B O00238 11/20 0.52
CYP17A1 P05093 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP19A1 P11511 1/20 0.50
TGFBR1 P36897 7/20 0.47
TRIM24 O15164 1/20 0.47

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
SCHEMBL769391 0.84 CYP11B1 (0.55) CYP11B2CYP11B1BMPR1AACVRL1ACVR1
SCHEMBL749580 0.81 ACVRL1 (0.53) CYP11B2CYP11B1BMPR1AACVRL1ACVR1
SCHEMBL768959 0.81 ACVRL1 (0.52) CYP11B2CYP11B1BMPR1AACVRL1ACVR1
SCHEMBL768351 0.80 ACVRL1 (0.53) CYP11B2CYP11B1BMPR1AACVRL1ACVR1
SCHEMBL769040 0.80 ACVRL1 (0.51) CYP11B2CYP11B1BMPR1AACVRL1ACVR1
SCHEMBL769097 0.77 ACVRL1 (0.63) CYP11B2CYP11B1BMPR1AACVRL1ACVR1
SCHEMBL768871 0.76 CYP11B2 (0.56) CYP11B2CYP11B1BMPR1AACVRL1ACVR1
SCHEMBL769062 0.76 CYP11B1 (0.78) CYP11B2CYP11B1BMPR1AACVRL1ACVR1
SCHEMBL768968 0.74 ACVRL1 (0.55) CYP11B2CYP11B1BMPR1AACVRL1ACVR1
SCHEMBL31261366 0.73 KDM1A (0.43) BMPR1AACVRL1ACVR1BMPR1BTGFBR1

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 CYP11B2 1/4885CYP11B1 2/4885BMPR1A 4080/4885
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 1/4885BMPR1A 2435/4885

“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.