SCHEMBL1871920

SCHEMBL1871920

O=c1[nH]c2ccc(-c3cncc4ccccc34)cc2[nH]1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 12/20 0.53
CYP11B2 P19099 12/20 0.53
CYP2D6 P10635 2/20 0.53
CYP2C9 P11712 2/20 0.53
CYP2B6 P20813 2/20 0.53
CYP2C19 P33261 2/20 0.53
PRMT5 O14744 1/20 0.53
WDR77 Q9BQA1 1/20 0.53
PRKCZ Q05513 1/20 0.51
GRIA1 P42261 1/20 0.51
CACNG8 Q8WXS5 1/20 0.51
WNT1 P04628 1/20 0.51
DYRK1A Q13627 1/20 0.51
PDE3B Q13370 2/20 0.50
PDE3A Q14432 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
ERN1 O75460 1/20 0.47
ERBB2 P04626 1/20 0.44
CDK1 P06493 1/20 0.44

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
SCHEMBL7293410 0.81 CYP11B1 (0.54) CYP11B1CYP11B2CYP2D6CYP2C9CYP2B6
SCHEMBL6909747 0.80 PDE3B (0.52) CYP11B1CYP11B2CYP2D6CYP2C9CYP2B6
SCHEMBL17998728 0.79 PRKCZ (0.54) CYP11B1CYP11B2CYP2D6CYP2C9CYP2B6
SCHEMBL26103671 0.79 CYP11B1 (0.55) CYP11B1CYP11B2CYP2D6CYP2C9CYP2B6
SCHEMBL21264421 0.75 TRPA1 (0.58) CYP11B1CYP11B2CYP2D6CYP2C9CYP2B6
SCHEMBL29501876 0.75 CYP11B1 (0.74) CYP11B1CYP11B2CYP2D6CYP2C9CYP2B6
SCHEMBL30386145 0.74 MAPT (0.58) CYP11B1CYP11B2CYP2D6CYP2C9CYP2B6
SCHEMBL26103362 0.74 MAPT (0.58) CYP11B1CYP11B2CYP2D6CYP2C9CYP2B6
SCHEMBL27377727 0.74 CYP11B1 (0.48) CYP11B1CYP11B2CYP2D6CYP2C9CYP2B6
SCHEMBL30386800 0.74 PRKCZ (0.54) 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 7 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
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
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 CYP11B1 6/4885CYP11B2 4/4885CYP2D6 60/4885
US-20110112067-A1 Inhibitors of the Human Aldosterone Sythase CYP11B2 HSD11B1, HSD11B2, CYP11B1 CYP11B1 3/4885CYP11B2 4/4885CYP2D6 450/4885

“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.