SCHEMBL19348296

SCHEMBL19348296

Cn1cnc2ccc(-c3cncc4c3COCC4N)cc21

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CDK9 P50750 4/20 0.45
DYRK1A Q13627 1/20 0.43
PRKCI P41743 1/20 0.40
PDE3B Q13370 1/20 0.39
PDE3A Q14432 1/20 0.39
CYP11B1 P15538 4/20 0.37
CYP11B2 P19099 4/20 0.37
PIK3CD O00329 1/20 0.36
CCNC P24863 2/20 0.36
CDK8 P49336 2/20 0.36
CDK19 Q9BWU1 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNA4 P43681 1/20 0.33
TGFBR1 P36897 1/20 0.32
TGFBR2 P37173 1/20 0.32
MAP3K20 Q9NYL2 1/20 0.32
PRMT5 O14744 1/20 0.32
WDR77 Q9BQA1 1/20 0.32

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
SCHEMBL19361099 0.88 DYRK1A (0.40) CDK9DYRK1APRKCIPDE3BPDE3A
SCHEMBL19348309 0.82 CYP11B1 (0.37) CYP11B1CYP11B2
SCHEMBL21105214 0.81 CDK9 (0.37) CDK9DYRK1APRKCIPDE3BPDE3A
SCHEMBL17814132 0.80 CYP11B1 (0.48) CDK9PRKCIPDE3BPDE3ACYP11B1
SCHEMBL21105204 0.80 CDK9 (0.36) CDK9DYRK1APRKCIPDE3BPDE3A
SCHEMBL17814088 0.80 CYP11B2 (0.49) CYP11B1CYP11B2
SCHEMBL17802107 0.79 CDK8 (0.43) PDE3BPDE3ACYP11B1CYP11B2CCNC
SCHEMBL19348307 0.76 CDK8 (0.43) CYP11B1CYP11B2CCNCCDK8
SCHEMBL19348302 0.76 CYP11B1 (0.38) CYP11B1CYP11B2CDK8CDK19
SCHEMBL19348311 0.72 CYP11B1 (0.59) CYP11B1CYP11B2TGFBR1

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 CDK9 1387/4885DYRK1A 3407/4885PRKCI 1635/4885

“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.