SCHEMBL17814210

SCHEMBL17814210

Cc1n[nH]c2cc(-c3cncc4c3COCC4O)ccc12

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 9/20 0.36
CYP11B2 P19099 9/20 0.36
PRMT5 O14744 1/20 0.34
WDR77 Q9BQA1 1/20 0.34
PAK1 Q13153 2/20 0.33
PDPK1 O15530 2/20 0.32
JAK1 P23458 2/20 0.31
JAK2 O60674 1/20 0.31
TYK2 P29597 1/20 0.31
JAK3 P52333 1/20 0.31
ADORA2A P29274 1/20 0.31
ADORA2B P29275 1/20 0.31
MAPK1 P28482 2/20 0.31
GSK3B P49841 1/20 0.30
KCNH2 Q12809 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
SCHEMBL17814209 0.92 CYP11B1 (0.36) CYP11B1CYP11B2PRMT5WDR77JAK2
SCHEMBL19348314 0.88 PRMT5 (0.37) CYP11B1CYP11B2PRMT5WDR77PAK1
SCHEMBL17814094 0.87 CYP11B1 (0.36) CYP11B1CYP11B2PRMT5WDR77PAK1
SCHEMBL17814134 0.81 CYP11B2 (0.50) CYP11B1CYP11B2
SCHEMBL17814129 0.80 CYP11B2 (0.46) CYP11B1CYP11B2PRMT5WDR77JAK1
SCHEMBL21105221 0.80 PRMT5 (0.34) CYP11B1CYP11B2PRMT5WDR77PAK1
SCHEMBL19348305 0.80 PRMT5 (0.37) CYP11B1CYP11B2PRMT5WDR77JAK1
SCHEMBL17814123 0.80 FGFR1 (0.44) CYP11B1CYP11B2
SCHEMBL17814177 0.77 CLK1 (0.44) JAK2JAK3GSK3B
SCHEMBL17814079 0.77 CCNC (0.42) 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 CYP11B1 1/4885CYP11B2 3/4885PRMT5 989/4885

“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.