SCHEMBL186412

SCHEMBL186412

N#Cc1ccc(Nc2ccc(Cl)cc2Br)cn1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SRC P12931 5/20 0.46
CHEK1 O14757 5/20 0.44
KCNQ3 O43525 1/20 0.40
KCNQ2 O43526 1/20 0.40
AR P10275 1/20 0.37
DHODH Q02127 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
USP2 O75604 1/20 0.36
PABPC1 P11940 1/20 0.36
MAPKAPK2 P49137 1/20 0.35
POLB P06746 1/20 0.35
P2RX3 P56373 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
SCHEMBL186593 0.86 CHEK1 (0.46) SRCCHEK1KCNQ3KCNQ2DHODH
SCHEMBL16487431 0.83 CHEK1 (0.44) SRCCHEK1KCNQ3KCNQ2AR
SCHEMBL185779 0.81 SRC (0.46) SRCCHEK1KCNQ3KCNQ2AR
SCHEMBL186155 0.80 CHEK1 (0.47) CHEK1
SCHEMBL27853613 0.79 CHEK1 (0.53) SRCCHEK1KCNQ3KCNQ2AR
SCHEMBL16487225 0.78 L3MBTL1 (0.56) CHEK1MEN1KMT2APOLB
SCHEMBL30045214 0.75 MAPT (0.45) SRCMEN1KMT2APOLB
SCHEMBL17197474 0.75 MAPT (0.45) SRCMEN1KMT2APOLB
SCHEMBL3931012 0.73 CHEK1 (0.50) CHEK1KCNQ3KCNQ2AR
SCHEMBL185879 0.72 CHEK1 (0.47) 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 SRC 3879/4885CHEK1 4159/4885KCNQ3 1094/4885
US-20100240669-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 SRC 3879/4885CHEK1 4159/4885KCNQ3 1094/4885

“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.