SCHEMBL6909747

SCHEMBL6909747

O=c1[nH]c2ccc(-c3cncc4ccccc34)cc2s1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 2/20 0.52
PDE3A Q14432 2/20 0.52
CYP11B1 P15538 10/20 0.50
CYP11B2 P19099 10/20 0.50
CYP2D6 P10635 2/20 0.50
CYP2C9 P11712 2/20 0.50
CYP2B6 P20813 2/20 0.50
CYP2C19 P33261 2/20 0.50
PRKCZ Q05513 1/20 0.48
PRMT5 O14744 1/20 0.47
WDR77 Q9BQA1 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
PGR P06401 2/20 0.47
WNT1 P04628 1/20 0.46
DYRK1A Q13627 1/20 0.46
ERN1 O75460 1/20 0.44
AKT1 P31749 1/20 0.43

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
SCHEMBL1871920 0.80 CYP11B1 (0.53) PDE3BPDE3ACYP11B1CYP11B2CYP2D6
SCHEMBL7293410 0.77 CYP11B1 (0.54) PDE3BPDE3ACYP11B1CYP11B2CYP2D6
SCHEMBL17998728 0.76 PRKCZ (0.54) CYP11B1CYP11B2CYP2D6CYP2C9CYP2B6
SCHEMBL26103728 0.76 PRKCZ (0.54) CYP11B1CYP11B2CYP2D6CYP2C9CYP2B6
SCHEMBL30385857 0.75 CYP11B1 (0.49) CYP11B1CYP11B2CYP2D6CYP2C9CYP2B6
SCHEMBL26102900 0.75 CYP11B1 (0.49) CYP11B1CYP11B2CYP2D6CYP2C9CYP2B6
SCHEMBL6910447 0.73 CYP11B1 (0.54) CYP11B1CYP11B2CYP2D6CYP2C9CYP2B6
SCHEMBL26103671 0.73 CYP11B1 (0.55) CYP11B1CYP11B2CYP2D6CYP2C9CYP2B6
SCHEMBL26463638 0.73 PDE3B (0.62) PDE3BPDE3ACYP11B1CYP11B2PRMT5
SCHEMBL21264421 0.72 TRPA1 (0.58) CYP11B1CYP11B2CYP2D6CYP2C9CYP2B6

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
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
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 355/4885CYP11B1 6/4885
US-20110112067-A1 Inhibitors of the Human Aldosterone Sythase CYP11B2 HSD11B1, HSD11B2, CYP11B1 PDE3B 335/4885PDE3A 424/4885CYP11B1 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.