Sugi Predict

Sugi Predict / Compounds / SCHEMBL2809443

SCHEMBL2809443

SCHEMBL2809443

CC(C)c1ccc(Nc2ccc(CNC(=O)C3(NC(=O)c4cncnc4)CC3)nc2)c(C(F)(F)F)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BDKRB1 P46663 9/20 0.41
▸ PDE10A Q9Y233 2/20 0.34
▸ CNR1 P21554 1/20 0.34
▸ PSMB11 A5LHX3 1/20 0.33
▸ PSMA7 O14818 1/20 0.33
▸ PSMB1 P20618 1/20 0.33
▸ PSMA1 P25786 1/20 0.33
▸ PSMA2 P25787 1/20 0.33
▸ PSMA3 P25788 1/20 0.33
▸ PSMA4 P25789 1/20 0.33
▸ PSMB8 P28062 1/20 0.33
▸ PSMB9 P28065 1/20 0.33
▸ PSMA5 P28066 1/20 0.33
▸ PSMB4 P28070 1/20 0.33
▸ PSMB6 P28072 1/20 0.33
▸ PSMB5 P28074 1/20 0.33
▸ PSMB10 P40306 1/20 0.33
▸ PSMB3 P49720 1/20 0.33
▸ PSMB2 P49721 1/20 0.33
▸ PSMA6 P60900 1/20 0.33

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
SCHEMBL186485 0.90 BDKRB1 (0.32) BDKRB1PDE10ANPC1RORCTRPA1
SCHEMBL2809229 0.90 BDKRB1 (0.41) BDKRB1CNR1EGFRBRAF
SCHEMBL2805859 0.90 BDKRB1 (0.41) BDKRB1CNR1TRPA1
SCHEMBL2806522 0.89 BDKRB1 (0.41) BDKRB1PDE10APSMB11PSMA7PSMB1
SCHEMBL2808761 0.88 BDKRB1 (0.40) BDKRB1CNR1
SCHEMBL13160124 0.88 BDKRB1 (0.40) BDKRB1CNR1EGFRBRAF
SCHEMBL2809358 0.88 BDKRB1 (0.40) BDKRB1NPC1EGFRBRAF
SCHEMBL184922 0.88 BDKRB1 (0.40) BDKRB1EGFRBRAFRORCTRPA1
SCHEMBL2808448 0.88 BDKRB1 (0.47) BDKRB1CNR1EGFRBRAFTRPA1
SCHEMBL2804952 0.88 BDKRB1 (0.43) BDKRB1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130131075-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-05-23 — — US disclosed
US-20130131075-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-05-23 — — US disclosed
EP-2401256-B1 Compounds as bradykinin B1 antagonists BOEHRINGER INGELHEIM INT (DE) 2013-04-17 — — EP disclosed
US-20100240669-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-23 — — US disclosed
US-20100240669-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-23 — — US disclosed
US-20100240669-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-23 — — US disclosed
WO-2010097372-A1 COMPOUNDS AS BRADYKININ B1 ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-02 — — 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 (2 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-20130131075-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 BDKRB1 289/4885PDE10A 82/4885CNR1 211/4885
US-20100240669-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 BDKRB1 289/4885PDE10A 82/4885CNR1 211/4885

“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.