Sugi Predict

Sugi Predict / Compounds / SCHEMBL2807300

SCHEMBL2807300

SCHEMBL2807300

O=C(NC1(C(=O)NCc2ccc(Nc3ccc(Br)cc3C(F)(F)F)cn2)CC1)c1cncc(O)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BDKRB1 P46663 2/20 0.39
▸ CNR2 P34972 1/20 0.36
▸ PRKAB2 O43741 1/20 0.33
▸ PRKAG1 P54619 1/20 0.33
▸ PRKAA2 P54646 1/20 0.33
▸ PRKAA1 Q13131 1/20 0.33
▸ PRKAG3 Q9UGI9 1/20 0.33
▸ PRKAG2 Q9UGJ0 1/20 0.33
▸ PRKAB1 Q9Y478 1/20 0.33
▸ CNR1 P21554 1/20 0.32
▸ KDM4E B2RXH2 3/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ PTK2 Q05397 2/20 0.32
▸ CTSL P07711 2/20 0.32
▸ CTSB P07858 2/20 0.32
▸ CTSS P25774 2/20 0.32
▸ POLB P06746 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ NAMPT P43490 2/20 0.30
▸ FPR2 P25090 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
SCHEMBL186464 0.92 BDKRB1 (0.40) BDKRB1CNR2CNR1KDM4EHSD17B10
SCHEMBL2809621 0.92 BDKRB1 (0.39) BDKRB1CNR2PRKAB2PRKAG1PRKAA2
SCHEMBL2809358 0.91 BDKRB1 (0.40) BDKRB1CNR2PRKAB2PRKAG1PRKAA2
SCHEMBL186448 0.91 BDKRB1 (0.39) BDKRB1CNR2CNR1KDM4EHSD17B10
SCHEMBL186162 0.89 BDKRB1 (0.42) BDKRB1CNR2CNR1KDM4EPTK2
SCHEMBL186154 0.88 CNR2 (0.37) BDKRB1CNR2PTK2CTSLCTSB
SCHEMBL2813480 0.88 CNR2 (0.36) BDKRB1CNR2PTK2CTSLCTSB
SCHEMBL2805326 0.87 CNR2 (0.37) BDKRB1CNR2PTK2CTSLCTSB
SCHEMBL2806916 0.87 CNR2 (0.37) BDKRB1CNR2CNR1PTK2CTSL
SCHEMBL2805079 0.86 CNR2 (0.39) CNR2KDM4EPTK2FPR2

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 289/4885CNR2 882/4885PRKAB2 2870/4885
US-20100240669-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 BDKRB1 289/4885CNR2 882/4885PRKAB2 2870/4885

“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.