SCHEMBL6909727

SCHEMBL6909727

O=c1[nH]c2ccc(-c3cccnc3)cc2s1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 4/20 0.68
PDE3A Q14432 4/20 0.68
PGR P06401 2/20 0.60
PIK3CA P42336 2/20 0.50
PIK3CD O00329 1/20 0.50
PIP5K1C O60331 1/20 0.50
PI4KA P42356 1/20 0.50
PI4KB Q9UBF8 1/20 0.50
CYP11B1 P15538 6/20 0.47
CYP11B2 P19099 6/20 0.47
FGFR1 P11362 1/20 0.47
MMP2 P08253 1/20 0.46
MMP13 P45452 1/20 0.46
MMP14 P50281 1/20 0.46
CYP1A2 P05177 3/20 0.46
ALDH1A1 P00352 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2A6 P11509 1/20 0.46
QPCT Q16769 1/20 0.46
QPCTL Q9NXS2 1/20 0.46

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
SCHEMBL9685741 0.80 PGR (0.71) PDE3BPDE3APGRPIK3CAPI4KA
SCHEMBL6910429 0.78 PDE3B (0.61) PDE3BPDE3APGRCYP11B1CYP11B2
SCHEMBL1884345 0.76 PDE3B (0.65) PDE3BPDE3ACYP11B1CYP11B2FGFR1
SCHEMBL30516503 0.76 FGFR1 (0.54) PDE3BPDE3ACYP11B1CYP11B2FGFR1
SCHEMBL30832786 0.76 PDE3B (0.65) PDE3BPDE3ACYP11B1CYP11B2FGFR1
SCHEMBL26463638 0.75 PDE3B (0.62) PDE3BPDE3APGRCYP11B1CYP11B2
SCHEMBL6541883 0.75 PGR (1.00) PDE3BPDE3APGR
SCHEMBL9484144 0.74 MAP2K1 (0.48) PDE3BPDE3APGRALDH1A1
SCHEMBL16284624 0.74 TLR8 (0.59) CYP11B1CYP11B2FGFR1CYP1A2ALDH1A1
SCHEMBL12433112 0.73 PDE3B (0.59) PDE3BPDE3APGRFGFR1CYP2A6

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2280954-B1 6-PYRIDIN-3-YL-3,4-DIHYDRO-1H-QUINOLIN-2-ONE DERIVATIVES AND RELATED COMPOUNDS AS INHIBITORS OF THE HUMAN ALDOSTERONE SYNTHASE CYP11B2 UNIV SAARLAND (DE) 2013-03-27 EP claimed
US-8541404-B2 Inhibitors of the human aldosterone synthase CYP11B2 ELEXOPHARM GMBH (DE) 2013-09-24 US disclosed
US-8541404-B2 Inhibitors of the human aldosterone synthase CYP11B2 ELEXOPHARM GMBH (DE) 2013-09-24 US disclosed
EP-2280954-B1 6-PYRIDIN-3-YL-3,4-DIHYDRO-1H-QUINOLIN-2-ONE DERIVATIVES AND RELATED COMPOUNDS AS INHIBITORS OF THE HUMAN ALDOSTERONE SYNTHASE CYP11B2 UNIV SAARLAND (DE) 2013-03-27 EP disclosed
US-20110118241-A1 6-Pyridin-3-YL-3,4-Dihydro-1H-Quinolin-2-One Derivatives and Related Compounds as Inhibitors of the Human Aldosterone Synthase CYP11B2 UNIVERSITAT DES SAARLANDES (DE) 2011-05-19 US disclosed
US-20110118241-A1 6-Pyridin-3-YL-3,4-Dihydro-1H-Quinolin-2-One Derivatives and Related Compounds as Inhibitors of the Human Aldosterone Synthase CYP11B2 UNIVERSITAT DES SAARLANDES (DE) 2011-05-19 US disclosed
US-20110112067-A1 Inhibitors of the Human Aldosterone Sythase CYP11B2 UNIVERSITAT DES SAARLANDES (DE) 2011-05-12 US disclosed
US-20110112067-A1 Inhibitors of the Human Aldosterone Sythase CYP11B2 UNIVERSITAT DES SAARLANDES (DE) 2011-05-12 US disclosed
WO-2009135651-A1 6-PYRIDIN-3-YL-3,4-DIHYDRO-1H-QUINOLIN-2-ONE DERIVATIVES AND RELATED COMPOUNDS AS INHIBITORS OF THE HUMAN ALDOSTERONE SYNTHASE CYP11B2 UNIVERSITÄT SAARLANDES (DE) 2009-11-12 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-20110118241-A1 6-Pyridin-3-YL-3,4-Dihydro-1H-Quinolin-2-One Derivatives and Related Compounds as Inhibitors of the Human Aldosterone Synthase CYP11B2 HSD11B1, HSD11B2, CYP4A11 PDE3B 239/4885PDE3A 355/4885PGR 1825/4885
US-20110112067-A1 Inhibitors of the Human Aldosterone Sythase CYP11B2 HSD11B1, HSD11B2, CYP11B1 PDE3B 335/4885PDE3A 424/4885PGR 3116/4885

“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.