SCHEMBL185708

SCHEMBL185708

CSc1ccc(Nc2ccc(CN)cc2)c(C(F)(F)F)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STK10 O94804 2/20 0.37
SLK Q9H2G2 2/20 0.37
BPTF Q12830 3/20 0.35
BRD4 O60885 2/20 0.34
CYP2C9 P11712 3/20 0.34
RAB9A P51151 3/20 0.34
MAPT P10636 3/20 0.34
NPC1 O15118 2/20 0.34
CYP1A2 P05177 2/20 0.34
CYP2C19 P33261 2/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
KIF11 P52732 2/20 0.34
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
ROCK1 Q13464 1/20 0.33
MAOA P21397 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 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
SCHEMBL186185 0.80 LOXL2 (0.44) BPTFBRD4MAPTMEN1KMT2A
SCHEMBL185324 0.79 KDM1A (0.40) BPTFBRD4MAPTMEN1KMT2A
SCHEMBL186374 0.79 RAB9A (0.43) BPTFBRD4RAB9AMAPTCYP1A2
SCHEMBL672517 0.78 KLKB1 (0.44) RAB9AMAPTNPC1MEN1KMT2A
SCHEMBL185836 0.76 KLKB1 (0.46) MAPTMEN1KMT2AMAOBKDM4E
SCHEMBL185509 0.75 P2RX3 (0.43) BPTFMAPTMAOBALDH1A1GAA
SCHEMBL185469 0.75 MAOB (0.50) RAB9AMAPTNPC1MEN1KMT2A
SCHEMBL4151390 0.73 APP (0.45) STK10SLKRAB9ACYP1A2CYP2C19
SCHEMBL185482 0.72 MAOB (0.40) MAOB
SCHEMBL19418542 0.71 BPTF (0.35) BPTFBRD4

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 STK10 1260/4885SLK 2562/4885BPTF 3900/4885
US-20100240669-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 STK10 1260/4885SLK 2562/4885BPTF 3900/4885

“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.