SCHEMBL186983

SCHEMBL186983

N#Cc1ncc(Nc2ccc(Br)cc2C(F)(F)F)cc1F

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 11/20 0.39
AR P10275 4/20 0.38
OPRM1 P35372 1/20 0.36
MALT1 Q9UDY8 1/20 0.35
TDO2 P48775 1/20 0.35
JAK2 O60674 1/20 0.34
JAK1 P23458 1/20 0.34
BACE2 Q9Y5Z0 1/20 0.34

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
SCHEMBL185879 0.80 CHEK1 (0.47) CHEK1
SCHEMBL186478 0.78 OPRM1 (0.36) CHEK1OPRM1
SCHEMBL186054 0.77 AR (0.39) CHEK1ARTDO2
SCHEMBL185727 0.76 OPRM1 (0.37) OPRM1
SCHEMBL186439 0.75 TDO2 (0.40) CHEK1ARMALT1TDO2JAK2
SCHEMBL184811 0.73 OPRM1 (0.44) OPRM1
SCHEMBL186066 0.70 OPRM1 (0.37) CHEK1OPRM1
SCHEMBL27853681 0.70 OPRM1 (0.39) OPRM1
SCHEMBL672513 0.70 SRC (0.40) CHEK1AR
SCHEMBL185965 0.69 CHEK1 (0.48) CHEK1

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 6 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
EP-2401256-B1 Compounds as bradykinin B1 antagonists BOEHRINGER INGELHEIM INT (DE) 2013-04-17 EP disclosed
CN-102414177-A Compounds as bradykinin b1 antagonists BOEHRINGER INGELHEIM INT 2012-04-11 CN disclosed
EP-2401256-A1 COMPOUNDS AS BRADYKININ B1 ANTAGONISTS Boehringer Ingelheim International GmbH (DE) 2012-01-04 EP 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 CHEK1 4159/4885AR 1452/4885OPRM1 160/4885
US-20100240669-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 CHEK1 4159/4885AR 1452/4885OPRM1 160/4885

“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.