SCHEMBL6917352

SCHEMBL6917352

O=c1[nH]c2ccc(-c3cncc(F)c3)cc2[nH]1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 2/20 0.58
PDE3A Q14432 2/20 0.58
GRIA1 P42261 4/20 0.56
CACNG8 Q8WXS5 3/20 0.56
PRMT5 O14744 1/20 0.48
WDR77 Q9BQA1 1/20 0.48
DYRK1A Q13627 7/20 0.46
WNT1 P04628 2/20 0.46
CYP11B1 P15538 1/20 0.45
CYP11B2 P19099 1/20 0.45
KDM4C Q9H3R0 1/20 0.42
KDM4E B2RXH2 1/20 0.41
PLK4 O00444 1/20 0.40
CHEK1 O14757 1/20 0.40
PRKD3 O94806 1/20 0.40
MAP4K4 O95819 1/20 0.40
CDK1 P06493 1/20 0.40
LYN P07948 1/20 0.40
RET P07949 1/20 0.40
PIM1 P11309 1/20 0.40

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
SCHEMBL22191784 0.81 PDE3B (0.58) PDE3BPDE3AGRIA1CACNG8DYRK1A
SCHEMBL18190554 0.79 GRIA1 (0.61) PDE3BPDE3AGRIA1CACNG8DYRK1A
SCHEMBL22191419 0.78 MAPT (0.53) PDE3BPDE3AGRIA1CACNG8DYRK1A
SCHEMBL22191410 0.78 MAPT (0.50) PDE3BPDE3AGRIA1CACNG8DYRK1A
SCHEMBL6910429 0.77 PDE3B (0.61) PDE3BPDE3AGRIA1CACNG8PRMT5
SCHEMBL6917093 0.77 CYP11B1 (0.55) PDE3BPDE3AGRIA1CACNG8PRMT5
SCHEMBL1884345 0.75 PDE3B (0.65) PDE3BPDE3AGRIA1CACNG8DYRK1A
SCHEMBL30832786 0.75 PDE3B (0.65) PDE3BPDE3AGRIA1CACNG8DYRK1A
SCHEMBL31192609 0.74 PDE3B (1.00) PDE3BPDE3AGRIA1CACNG8DYRK1A
SCHEMBL22191846 0.74 XDH (0.54) PDE3BPDE3AGRIA1CACNG8PLK4

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 6 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-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 355/4885GRIA1 1913/4885
US-20110112067-A1 Inhibitors of the Human Aldosterone Sythase CYP11B2 HSD11B1, HSD11B2, CYP11B1 PDE3B 335/4885PDE3A 424/4885GRIA1 976/4885

“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.