SCHEMBL19348307

SCHEMBL19348307

Cn1ncc2cc(-c3cncc4c3COCC4N)ccc21

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CDK8 P49336 6/20 0.43
CCNC P24863 5/20 0.43
USP7 Q93009 1/20 0.43
TRPA1 O75762 1/20 0.43
AR P10275 4/20 0.40
CREBBP Q92793 2/20 0.40
BRD4 O60885 1/20 0.40
FAAH O00519 2/20 0.38
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
APP P05067 1/20 0.38
KDM1A O60341 1/20 0.38
BRAF P15056 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
SCHEMBL17802107 0.91 CDK8 (0.43) CDK8CCNCUSP7BRD4CYP11B1
SCHEMBL17814084 0.88 CDK8 (0.44) CDK8CCNCUSP7TRPA1AR
SCHEMBL17814136 0.82 BRD4 (0.36) USP7CREBBPBRD4CYP11B1CYP11B2
SCHEMBL19348298 0.81 KDM1A (0.35) USP7ARCYP11B1CYP11B2KDM1A
SCHEMBL21105092 0.81 CDK8 (0.39) CDK8CCNCUSP7TRPA1AR
SCHEMBL17814146 0.80 CYP11B1 (0.49) CDK8CCNCTRPA1ARCREBBP
SCHEMBL17814131 0.79 CYP11B2 (0.49) CYP11B1CYP11B2
SCHEMBL17814124 0.79 CCNC (0.45) CDK8CCNCBRD4CYP11B1CYP11B2
SCHEMBL19348309 0.79 CYP11B1 (0.37) FAAHCYP11B1CYP11B2KDM1A
SCHEMBL17802102 0.78 CYP11B1 (0.36) CYP11B1CYP11B2KDM1A

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 3 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
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

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 CDK8 2437/4885CCNC 2192/4885USP7 4419/4885

“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.