SCHEMBL6909940

SCHEMBL6909940

Cn1c(=O)sc2cc(-c3cncc(F)c3)ccc21

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 1/20 0.46
GPR55 Q9Y2T6 1/20 0.43
HTR1A P08908 1/20 0.41
GRIN1 Q05586 4/20 0.40
GRIN2B Q13224 4/20 0.40
CYP11B2 P19099 4/20 0.40
CYP11B1 P15538 2/20 0.40
CYP19A1 P11511 1/20 0.40
BACE1 P56817 3/20 0.38
PRMT5 O14744 1/20 0.38
WDR77 Q9BQA1 1/20 0.38
CTSD P07339 1/20 0.37
SIRT6 Q8N6T7 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
GSK3B P49841 1/20 0.36
DYRK1A Q13627 1/20 0.36
BACE2 Q9Y5Z0 1/20 0.36

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
SCHEMBL748257 0.84 CYP19A1 (0.40) PIK3CGGPR55HTR1ACYP11B2CYP11B1
SCHEMBL746136 0.80 SIRT6 (0.49) PIK3CGCYP11B2CYP11B1CYP19A1BACE1
SCHEMBL769252 0.76 CYP11B2 (0.48) CYP11B2SIRT6SIGMAR1DYRK1A
SCHEMBL31149575 0.74 SIGMAR1 (0.40) PIK3CGCYP11B2CYP11B1CYP19A1SIRT6
SCHEMBL768766 0.74 BRPF1 (0.44) SIRT6SIGMAR1
SCHEMBL6910447 0.72 CYP11B1 (0.54) CYP11B2CYP11B1CYP19A1PRMT5WDR77
SCHEMBL31149505 0.71 CYP11B2 (0.43) PIK3CGHTR1ACYP11B2CYP11B1SIRT6
SCHEMBL28589450 0.70 ACHE (0.47) SIGMAR1
SCHEMBL29472337 0.70 ACHE (0.47) SIGMAR1
SCHEMBL6910429 0.70 PDE3B (0.61) PIK3CGCYP11B2CYP11B1PRMT5WDR77

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 PIK3CG 1711/4885GPR55 828/4885HTR1A 887/4885
US-20110112067-A1 Inhibitors of the Human Aldosterone Sythase CYP11B2 HSD11B1, HSD11B2, CYP11B1 PIK3CG 2035/4885GPR55 1249/4885HTR1A 2457/4885

“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.