SCHEMBL6910429

SCHEMBL6910429

O=c1[nH]c2ccc(-c3cncc(F)c3)cc2s1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 4/20 0.61
PDE3A Q14432 4/20 0.61
PGR P06401 2/20 0.51
PIK3CG P48736 1/20 0.46
AKT1 P31749 3/20 0.44
PRMT5 O14744 1/20 0.42
WDR77 Q9BQA1 1/20 0.42
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 1/20 0.42
POLB P06746 1/20 0.42
DYRK1A Q13627 3/20 0.41
WNT1 P04628 1/20 0.41
GRIA1 P42261 1/20 0.41
CACNG8 Q8WXS5 1/20 0.41
CDK2 P24941 1/20 0.40
KDM4C Q9H3R0 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
SCHEMBL6909727 0.78 PDE3B (0.68) PDE3BPDE3APGRPIK3CGCYP11B1
SCHEMBL6917352 0.77 PDE3B (0.58) PDE3BPDE3APRMT5WDR77CYP11B1
SCHEMBL18190574 0.75 GRIA1 (0.61) PDE3BPDE3APGRAKT1GRIA1
SCHEMBL6190639 0.73 POLB (0.56) PDE3BPDE3APGRPOLBGRIA1
SCHEMBL9685741 0.73 PGR (0.71) PDE3BPDE3APGRGRIA1CACNG8
SCHEMBL9484426 0.71 PDE3B (0.68) PDE3BPDE3APGRGRIA1CACNG8
SCHEMBL6909940 0.70 PIK3CG (0.46) PIK3CGPRMT5WDR77CYP11B1CYP11B2
SCHEMBL15798049 0.70 AKT1 (0.45) PDE3BPDE3APGRAKT1GRIA1
SCHEMBL2439269 0.70 PDE3B (0.66) PDE3BPDE3APGRPOLBGRIA1
SCHEMBL6909747 0.70 PDE3B (0.52) PDE3BPDE3APGRAKT1PRMT5

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
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

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.