SCHEMBL17814173

SCHEMBL17814173

OC1COCc2c(-c3ccc4[nH]ccc4c3)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
PRKCQ Q04759 4/20 0.41
FYN P06241 2/20 0.40
NISCH Q9Y2I1 1/20 0.40
MAP3K11 Q16584 1/20 0.39
CYP11B1 P15538 3/20 0.38
CYP11B2 P19099 3/20 0.38
PRKCD Q05655 2/20 0.38
DYRK1A Q13627 1/20 0.38
DYRK2 Q92630 1/20 0.38
DYRK1B Q9Y463 1/20 0.38
ABL1 P00519 1/20 0.37
NPC1 O15118 1/20 0.37
BRAF P15056 1/20 0.37
CYP17A1 P05093 1/20 0.36
PRKCH P24723 1/20 0.36
PRKCE Q02156 1/20 0.36

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
SCHEMBL17814079 0.92 CCNC (0.42) CCNCCDK8PRKCQCYP11B1CYP11B2
SCHEMBL17814177 0.85 CLK1 (0.44) CCNCCDK8PRKCQDYRK1ADYRK2
SCHEMBL17814121 0.83 ALOX5AP (0.45) CCNCCDK8FYNDYRK1ADYRK1B
SCHEMBL17814123 0.80 FGFR1 (0.44) CYP11B1CYP11B2ABL1BRAF
SCHEMBL17814125 0.79 CYP11B1 (0.39) CCNCCDK8CYP11B1CYP11B2ABL1
SCHEMBL17814209 0.77 CYP11B1 (0.36) CYP11B1CYP11B2DYRK1A
SCHEMBL17814091 0.76 NPC1 (0.44) CCNCCDK8CYP11B1CYP11B2DYRK1A
SCHEMBL17814086 0.75 PGR (0.43) CYP11B1CYP11B2
SCHEMBL17814084 0.75 CDK8 (0.44) CCNCCDK8CYP11B1CYP11B2BRAF
SCHEMBL17814119 0.75 CYP11B1 (0.41) 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 2437/4885PRKCQ 1378/4885

“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.