SCHEMBL2805701

SCHEMBL2805701

COc1ncc(C(=O)NC2(C(=O)NCc3ccc(Nc4ccc(F)cc4C#N)cc3)CC2)cn1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 9/20 0.41
PRKAA2 P54646 1/20 0.38
CHRM4 P08173 2/20 0.38
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37
CHEK1 O14757 2/20 0.36
UCHL1 P09936 1/20 0.36
KIT P10721 1/20 0.36
CTSS P25774 3/20 0.35
CTSK P43235 3/20 0.35
CTSL P07711 1/20 0.35

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
SCHEMBL2805532 0.91 PRKAA2 (0.40) BDKRB1PRKAA2CHRM4UCHL1CTSS
SCHEMBL2806168 0.89 PRKAA2 (0.39) BDKRB1PRKAA2UCHL1CTSSCTSK
SCHEMBL202870 0.89 CHRM4 (0.39) BDKRB1PRKAA2CHRM4JAK2JAK1
SCHEMBL13128434 0.88 BDKRB1 (0.47) BDKRB1PRKAA2UCHL1CTSSCTSK
SCHEMBL2805653 0.82 CYP3A4 (0.40) PRKAA2CHRM4
SCHEMBL2808193 0.81 BDKRB1 (0.47) BDKRB1PRKAA2UCHL1CTSSCTSK
SCHEMBL14857219 0.81 CHRM4 (0.36) BDKRB1PRKAA2CHRM4CHEK1
SCHEMBL200841 0.79 CHRM4 (0.35) PRKAA2CHRM4CHEK1
SCHEMBL2809806 0.79 BDKRB1 (0.38) BDKRB1KIT
SCHEMBL2806715 0.78 BDKRB1 (0.38) 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 289/4885PRKAA2 3966/4885CHRM4 215/4885
US-20100240669-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 BDKRB1 289/4885PRKAA2 3966/4885CHRM4 215/4885

“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.