SCHEMBL745069

SCHEMBL745069

Cn1c(=O)oc2cc(-c3cccnc3)ccc21

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNIK Q9UKE5 1/20 0.57
CYP19A1 P11511 2/20 0.56
CYP11B2 P19099 5/20 0.55
PGR P06401 1/20 0.49
GPR55 Q9Y2T6 1/20 0.48
CYP11B1 P15538 4/20 0.48
CYP17A1 P05093 1/20 0.47
CYP1A2 P05177 1/20 0.47
ALDH1A1 P00352 1/20 0.47
HPGD P15428 1/20 0.47
GLA P06280 1/20 0.46
NR4A2 P43354 1/20 0.45
PIM1 P11309 1/20 0.45
PIM2 Q9P1W9 1/20 0.45
MEN1 O00255 1/20 0.44
LMNA P02545 1/20 0.44
PKM P14618 1/20 0.44
TSHR P16473 1/20 0.44
HTT P42858 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL782951 0.90 CYP19A1 (0.55) TNIKCYP19A1CYP11B2PGRGPR55
SCHEMBL16183812 0.80 CYP1A2 (0.54) TNIKCYP19A1CYP11B2CYP1A2ALDH1A1
SCHEMBL768881 0.78 MAPK14 (0.58) CYP19A1CYP11B2CYP11B1CYP17A1CYP1A2
SCHEMBL9616042 0.78 ALDH1A1 (0.72) CYP11B2ALDH1A1HPGDGLAMEN1
SCHEMBL14565110 0.77 CYP11B2 (0.52) CYP11B2GPR55CYP11B1CYP17A1ALDH1A1
SCHEMBL19153964 0.75 PKM (0.46) CYP11B2GPR55ALDH1A1HPGDMEN1
SCHEMBL7271260 0.74 CYP11B2 (0.56) CYP19A1CYP11B2PGRCYP11B1CYP17A1
SCHEMBL746136 0.73 SIRT6 (0.49) CYP19A1CYP11B2CYP11B1CYP17A1CYP1A2
SCHEMBL31743102 0.72 HTR1D (0.54) CYP19A1CYP11B2PGRCYP11B1CYP17A1
SCHEMBL29858590 0.72 CYP19A1 (1.00) CYP19A1CYP11B2PGRCYP11B1CYP17A1

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 11 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-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
EP-2430011-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) 2012-03-21 EP disclosed
WO-2010130794-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) 2010-11-18 WO 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 TNIK 3804/4885CYP19A1 46/4885CYP11B2 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 TNIK 1694/4885CYP19A1 41/4885CYP11B2 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.