SCHEMBL185779

SCHEMBL185779

N#Cc1ccc(Nc2ccc(Br)cc2Cl)cn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.46
CHEK1 O14757 2/20 0.44
KMT2A Q03164 4/20 0.39
MEN1 O00255 3/20 0.39
CTDSP1 Q9GZU7 1/20 0.39
ALDH1A1 P00352 3/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
KDM4E B2RXH2 2/20 0.37
AR P10275 1/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
KCNQ3 O43525 1/20 0.37
KCNQ2 O43526 1/20 0.37
IGF1R P08069 1/20 0.36
LMNA P02545 1/20 0.35
GLA P06280 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
LRRK2 Q5S007 1/20 0.35
TNF P01375 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
SCHEMBL186593 0.86 CHEK1 (0.46) SRCCHEK1MAPK1KCNQ3KCNQ2
SCHEMBL186412 0.81 SRC (0.46) SRCCHEK1KMT2AMEN1AR
SCHEMBL185879 0.80 CHEK1 (0.47) CHEK1
SCHEMBL3931012 0.76 CHEK1 (0.50) CHEK1ARKCNQ3KCNQ2
SCHEMBL185188 0.75 KMT2A (0.39) SRCKMT2AMEN1CTDSP1ALDH1A1
SCHEMBL16487431 0.75 CHEK1 (0.44) SRCCHEK1KMT2AMEN1ALDH1A1
SCHEMBL20155217 0.73 CHEK1 (0.66) CHEK1AR
SCHEMBL27853613 0.72 CHEK1 (0.53) SRCCHEK1KMT2AMEN1GAA
SCHEMBL186155 0.72 CHEK1 (0.47) CHEK1
SCHEMBL16487225 0.70 L3MBTL1 (0.56) CHEK1KMT2AMEN1ALDH1A1MAPT

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 4159/4885KMT2A 4682/4885
US-20100240669-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 SRC 3879/4885CHEK1 4159/4885KMT2A 4682/4885

“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.