SCHEMBL186635

SCHEMBL186635

N#Cc1cc(F)ccc1Nc1cnc(CN)c(F)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 2/20 0.42
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
PRMT5 O14744 3/20 0.36
WDR77 Q9BQA1 3/20 0.36
DHFR P00374 1/20 0.35
EGFR P00533 1/20 0.33
ERBB2 P04626 1/20 0.33
MAOB P27338 1/20 0.33
GPR119 Q8TDV5 1/20 0.32
CHEK1 O14757 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
KCNH2 Q12809 1/20 0.32
SOS1 Q07889 1/20 0.32
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
JAK2 O60674 1/20 0.32
JAK1 P23458 1/20 0.32
TYK2 P29597 1/20 0.32

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
Trifluoroacetic Acid SCHEMBL185180 0.90 LRRK2 (0.37) LRRK2NPC1RAB9APRMT5WDR77
SCHEMBL185672 0.87 FLT1 (0.40) LRRK2NPC1RAB9AMAPT
SCHEMBL2808514 0.81 LRRK2 (0.39) LRRK2MAOBCHEK1JAK2JAK1
SCHEMBL201030 0.80 LRRK2 (0.45) LRRK2NPC1RAB9ADHFREGFR
SCHEMBL185485 0.78 CNR2 (0.37) PRMT5WDR77DHFRCHEK1SOS1
SCHEMBL185967 0.78 LRRK2 (0.41) LRRK2NPC1RAB9ADHFREGFR
SCHEMBL2809625 0.77 LRRK2 (0.36) LRRK2MAOBHTR2AHTR2CKCNH2
SCHEMBL27853555 0.77 LRRK2 (0.46) LRRK2NPC1RAB9AMAOBSOS1
SCHEMBL3715325 0.74 LRRK2 (0.53) LRRK2NPC1RAB9AEGFRERBB2
SCHEMBL13160097 0.73 MAPT (0.45) RAB9ADHFREGFRMAPT

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 5 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
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 LRRK2 2304/4885NPC1 926/4885RAB9A 347/4885
US-20100240669-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 LRRK2 2304/4885NPC1 926/4885RAB9A 347/4885

“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.