SCHEMBL16196348

SCHEMBL16196348

O=C1COCCN1Cc1cncc(Br)c1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 9/20 0.51
CYP11B1 P15538 2/20 0.47
RIPK2 O43353 1/20 0.41
GRM2 Q14416 1/20 0.38
PIK3CA P42336 1/20 0.36
MTOR P42345 1/20 0.36
JAK2 O60674 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
PER2 O15055 1/20 0.34
CRY2 Q49AN0 1/20 0.34

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
SCHEMBL16213148 0.86 CYP11B2 (0.40) CYP11B2CYP11B1RIPK2KDM4EALDH1A1
SCHEMBL17686143 0.80 CYP11B2 (0.47) CYP11B2CYP11B1GRM2
SCHEMBL3994597 0.79 SMN1; SMN2 (0.48) CYP11B2CYP11B1GRM2JAK2KDM4E
SCHEMBL14778515 0.78 KMT2A (0.51) CYP11B2CYP11B1
SCHEMBL23269469 0.78 KMT2A (0.46) GRM2JAK2KDM4EALDH1A1HSD17B10
SCHEMBL14780364 0.77 L3MBTL1 (0.51) CYP11B2CYP11B1GRM2
SCHEMBL29934322 0.76 HRH3 (0.47) CYP11B2KDM4EALDH1A1HPGD
SCHEMBL114033 0.76 HRH3 (0.47) CYP11B2KDM4EALDH1A1HPGD
SCHEMBL17686115 0.75 CYP11B2 (0.46) CYP11B2CYP11B1RIPK2GRM2PIK3CA
SCHEMBL22770845 0.75 CYP11B2 (0.43) CYP11B2CYP11B1GRM2PER2CRY2

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 14 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
US-9745289-B2 Aldosterone synthase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-08-29 US disclosed
US-9745289-B2 Aldosterone synthase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-08-29 US disclosed
WO-2016061161-A1 ALDOSTERONE SYNTHASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-04-21 WO disclosed
US-20160108026-A1 ALDOSTERONE SYNTHASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-04-21 US disclosed
US-20160108026-A1 ALDOSTERONE SYNTHASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-04-21 US 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
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 (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-20160108026-A1 ALDOSTERONE SYNTHASE INHIBITORS CYP21A2, CYP11B1, HSD11B1 CYP11B2 5/4885CYP11B1 2/4885RIPK2 4600/4885
US-20140323468-A1 ALDOSTERONE SYNTHASE INHIBITORS CYP11B1, CYP21A2, REN CYP11B2 4/4885CYP11B1 1/4885RIPK2 4333/4885

“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.