SCHEMBL16196089

SCHEMBL16196089

Brc1cncc(-c2cnc3c(c2)CCCN3)c1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NNMT P40261 2/20 0.47
ASIC3 Q9UHC3 1/20 0.45
PIK3C3 Q8NEB9 1/20 0.39
ALOX5AP P20292 2/20 0.37
FEN1 P39748 2/20 0.37
CYP2A6 P11509 1/20 0.36
PIK3CD O00329 1/20 0.36
PTK2 Q05397 1/20 0.36
GRM5 P41594 1/20 0.35
CHRNB2 P17787 1/20 0.34
CHRNA4 P43681 1/20 0.34
ADORA2A P29274 1/20 0.34
CYP11B2 P19099 7/20 0.33
ABL1 P00519 1/20 0.33
CYP11B1 P15538 1/20 0.33

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
SCHEMBL30507029 0.82 NNMT (0.55) NNMTASIC3PIK3C3ALOX5APFEN1
SCHEMBL1258438 0.82 NNMT (0.55) NNMTASIC3PIK3C3ALOX5APFEN1
SCHEMBL20237379 0.79 CYP11B2 (0.55) NNMTASIC3PIK3C3CYP2A6CYP11B2
SCHEMBL16196012 0.79 CYP11B2 (0.55) NNMTASIC3PIK3C3CYP2A6CYP11B2
SCHEMBL16196626 0.79 CYP11B2 (0.50) NNMTASIC3PIK3C3ALOX5APFEN1
SCHEMBL2843856 0.78 NNMT (0.50) NNMTASIC3PIK3C3ALOX5APFEN1
SCHEMBL16213324 0.77 CYP11B2 (0.55) NNMTASIC3PIK3C3CYP11B2CYP11B1
SCHEMBL16196406 0.77 CYP11B2 (0.53) NNMTASIC3PIK3C3ALOX5APFEN1
SCHEMBL16196332 0.77 CYP11B2 (0.55) NNMTASIC3PIK3C3CYP11B2CYP11B1
SCHEMBL16203253 0.76 NNMT (0.44) NNMTASIC3PIK3C3ALOX5APFEN1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2991985-B1 ALDOSTERONE SYNTHASE INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2018-06-13 EP disclosed
EP-2991985-B1 ALDOSTERONE SYNTHASE INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2018-06-13 EP disclosed
EP-2991985-A1 ALDOSTERONE SYNTHASE INHIBITORS Boehringer Ingelheim International GmbH (DE) 2016-03-09 EP disclosed
US-9181272-B2 Aldosterone synthase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-11-10 US disclosed
US-9181272-B2 Aldosterone synthase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-11-10 US disclosed
US-9181272-B2 Aldosterone synthase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-11-10 US disclosed
WO-2014179186-A1 ALDOSTERONE SYNTHASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-11-06 WO disclosed
WO-2014179186-A1 ALDOSTERONE SYNTHASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-11-06 WO disclosed
US-20140323468-A1 ALDOSTERONE SYNTHASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-10-30 US disclosed
US-20140323468-A1 ALDOSTERONE SYNTHASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-10-30 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 (1 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-20140323468-A1 ALDOSTERONE SYNTHASE INHIBITORS CYP11B1, CYP21A2, REN NNMT 637/4885ASIC3 2792/4885PIK3C3 4122/4885

“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.