SCHEMBL17814094

SCHEMBL17814094

OC1COCc2c(-c3ccc4c(Cl)n[nH]c4c3)cncc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 8/20 0.36
CYP11B2 P19099 8/20 0.36
CCNC P24863 2/20 0.33
CDK8 P49336 2/20 0.33
CDK19 Q9BWU1 2/20 0.33
PAK1 Q13153 3/20 0.33
PRKAB2 O43741 3/20 0.32
PRKAG1 P54619 3/20 0.32
PRKAA2 P54646 3/20 0.32
PRKAA1 Q13131 3/20 0.32
PRKAG3 Q9UGI9 3/20 0.32
PRKAG2 Q9UGJ0 3/20 0.32
PRKAB1 Q9Y478 3/20 0.32
GSK3B P49841 1/20 0.31
PRMT5 O14744 1/20 0.31
WDR77 Q9BQA1 1/20 0.31
FGFR1 P11362 1/20 0.30
FGFR2 P21802 1/20 0.30
FGFR3 P22607 1/20 0.30
MAP2K4 P45985 1/20 0.30

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
SCHEMBL19348316 0.88 CCNC (0.35) CYP11B1CYP11B2CCNCCDK8CDK19
SCHEMBL17814210 0.87 CYP11B1 (0.36) CYP11B1CYP11B2PAK1GSK3BPRMT5
SCHEMBL17814097 0.82 PAK1 (0.33) CYP11B1CYP11B2CCNCCDK8CDK19
SCHEMBL17814209 0.81 CYP11B1 (0.36) CYP11B1CYP11B2GSK3BPRMT5WDR77
SCHEMBL17814087 0.80 CYP11B2 (0.51) CYP11B1CYP11B2
SCHEMBL17814089 0.80 JAK2 (0.34) CYP11B1CYP11B2
SCHEMBL17814123 0.80 FGFR1 (0.44) CYP11B1CYP11B2FGFR1FGFR2FGFR3
SCHEMBL21105117 0.80 CYP11B2 (0.35) CYP11B1CYP11B2CCNCCDK8CDK19
SCHEMBL17814095 0.79 CYP11B1 (0.45) CYP11B1CYP11B2
SCHEMBL17814079 0.77 CCNC (0.42) CYP11B1CYP11B2CCNCCDK8CDK19

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-3227300-B1 ALDOSTERONE SYNTHASE INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2019-06-19 EP disclosed
EP-3227300-B1 ALDOSTERONE SYNTHASE INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2019-06-19 EP disclosed
US-9890171-B2 Aldosterone synthase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2018-02-13 US disclosed
US-9890171-B2 Aldosterone synthase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2018-02-13 US disclosed
US-9890171-B2 Aldosterone synthase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2018-02-13 US disclosed
US-20170267688-A1 ALDOSTERONE SYNTHASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-09-21 US disclosed
US-20170267688-A1 ALDOSTERONE SYNTHASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-09-21 US disclosed
US-20170267688-A1 ALDOSTERONE SYNTHASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-09-21 US disclosed
WO-2016089800-A1 ALDOSTERONE SYNTHASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-06-09 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 (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-20170267688-A1 ALDOSTERONE SYNTHASE INHIBITORS CYP11B1, CYP21A2, CYP11B2 CYP11B1 1/4885CYP11B2 3/4885CCNC 2192/4885

“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.