SCHEMBL17814185

SCHEMBL17814185

OC1COCc2c(-c3ccc4nncn4c3)cncc21

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ DNMT1 P26358 1/20 0.39
▸ MAPK14 Q16539 1/20 0.37
▸ CYP11B1 P15538 6/20 0.36
▸ CYP11B2 P19099 6/20 0.36
▸ SCN5A Q14524 1/20 0.35
▸ KDM1A O60341 1/20 0.31
▸ TGFBR1 P36897 1/20 0.30
▸ MLLT1 Q03111 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
SCHEMBL17814166 0.79 CYP11B1 (0.35) MAPK14CYP11B1CYP11B2SCN5ATGFBR1
SCHEMBL17814205 0.73 CYP11B1 (0.44) CYP11B1CYP11B2
SCHEMBL17814187 0.73 PIK3C3 (0.38) CYP11B1CYP11B2
SCHEMBL17814182 0.72 CYP11B1 (0.35) CYP11B1CYP11B2TGFBR1
SCHEMBL17814212 0.72 CCNC (0.37) CYP11B1CYP11B2
SCHEMBL17814207 0.71 CYP11B2 (0.68) CYP11B1CYP11B2
SCHEMBL17814119 0.69 CYP11B1 (0.41) CYP11B1CYP11B2
SCHEMBL17814178 0.69 ACVRL1 (0.36) CYP11B1CYP11B2
SCHEMBL19361099 0.69 DYRK1A (0.40) CYP11B1CYP11B2
SCHEMBL17814109 0.69 CYP11B1 (0.38) 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 8 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-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 DNMT1 3474/4885MAPK14 2167/4885CYP11B1 1/4885

“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.

Send feedback