SCHEMBL769456

SCHEMBL769456

CCN1C(=O)Cc2cc(-c3cncc(CNS(=O)(=O)C(F)(F)F)c3)ccc21

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACVRL1 P37023 16/20 0.53
ACVR1 Q04771 16/20 0.53
BMPR1B O00238 15/20 0.53
BMPR1A P36894 15/20 0.53
TGFBR1 P36897 11/20 0.53
CYP1A2 P05177 1/20 0.44
CYP11B1 P15538 1/20 0.44
CYP11B2 P19099 1/20 0.44
BRD4 O60885 1/20 0.43
PRMT6 Q96LA8 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39

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
SCHEMBL777270 0.88 ACVRL1 (0.56) ACVRL1ACVR1BMPR1BBMPR1ATGFBR1
SCHEMBL14780347 0.82 CYP11B1 (0.57) CYP1A2CYP11B1CYP11B2
SCHEMBL777530 0.77 ACVRL1 (0.57) ACVRL1ACVR1BMPR1BBMPR1ATGFBR1
SCHEMBL1877985 0.77 ACVRL1 (0.65) ACVRL1ACVR1BMPR1BBMPR1ATGFBR1
SCHEMBL768711 0.73 ACVRL1 (0.56) ACVRL1ACVR1BMPR1BBMPR1ATGFBR1
SCHEMBL746915 0.71 CYP11B1 (0.80) ACVRL1ACVR1BMPR1BBMPR1ATGFBR1
SCHEMBL10234020 0.71 KCNJ1 (0.49) CYP11B1CYP11B2PRMT6
SCHEMBL21535172 0.70 CYP11B1 (0.55) CYP1A2CYP11B1CYP11B2
SCHEMBL31260061 0.70 CYP11B1 (0.55) CYP1A2CYP11B1CYP11B2
SCHEMBL14789761 0.70 CYP11B1 (0.60) CYP1A2CYP11B1CYP11B2

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 2 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-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 ACVRL1 950/4885ACVR1 522/4885BMPR1B 1602/4885

“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.