SCHEMBL17814079

SCHEMBL17814079

OC1COCc2c(-c3ccc4cc[nH]c4c3)cncc21

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CCNC P24863 4/20 0.42
CDK8 P49336 4/20 0.42
CDK19 Q9BWU1 2/20 0.40
CYP11B1 P15538 5/20 0.38
CYP11B2 P19099 5/20 0.38
BRAF P15056 1/20 0.37
PIP4K2A P48426 1/20 0.37
PIP4K2B P78356 1/20 0.37
LCK P06239 1/20 0.36
BTK Q06187 1/20 0.36
BRD4 O60885 1/20 0.36
PRKCQ Q04759 1/20 0.36
PI4K2A Q9BTU6 1/20 0.36
MPO P05164 2/20 0.35
PIK3CD O00329 1/20 0.35
PIK3CB P42338 1/20 0.35
PDE3B Q13370 1/20 0.35
PDE3A Q14432 1/20 0.35

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
SCHEMBL17814173 0.92 CCNC (0.42) CCNCCDK8CYP11B1CYP11B2BRAF
SCHEMBL17814123 0.86 FGFR1 (0.44) CYP11B1CYP11B2BRAFLCKBTK
SCHEMBL17814121 0.81 ALOX5AP (0.45) CCNCCDK8PIK3CDPIK3CB
SCHEMBL17814177 0.81 CLK1 (0.44) CCNCCDK8LCKBTKPRKCQ
SCHEMBL17814125 0.80 CYP11B1 (0.39) CCNCCDK8CYP11B1CYP11B2LCK
SCHEMBL17814094 0.77 CYP11B1 (0.36) CCNCCDK8CDK19CYP11B1CYP11B2
SCHEMBL17814210 0.77 CYP11B1 (0.36) CYP11B1CYP11B2
SCHEMBL17814086 0.76 PGR (0.43) CYP11B1CYP11B2
SCHEMBL17814124 0.76 CCNC (0.45) CCNCCDK8CYP11B1CYP11B2BRD4
SCHEMBL17814209 0.76 CYP11B1 (0.36) CYP11B1CYP11B2

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 CCNC 2192/4885CDK8 2437/4885CDK19 831/4885

“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.