SCHEMBL2807122

SCHEMBL2807122

N#Cc1ncc(C(=O)NC2(C(=O)NCc3ccc(Nc4ccc(Cl)cc4C(F)(F)F)cn3)CC2)cn1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AR P10275 5/20 0.37
CTSL P07711 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
RAB9A P51151 1/20 0.37
UCHL1 P09936 1/20 0.37
CNR2 P34972 4/20 0.35
CTSK P43235 1/20 0.34
RORC P51449 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
P2RX7 Q99572 1/20 0.33
BDKRB1 P46663 1/20 0.33
KDM4E B2RXH2 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
SCHEMBL2810010 0.92 RAB9A (0.39) ARCTSLCYP1A2CYP2D6CYP2C19
SCHEMBL2809030 0.90 CNR2 (0.39) CTSLCYP1A2CYP2D6CYP2C19RAB9A
SCHEMBL13128552 0.90 CNR2 (0.39) CTSLCYP1A2CYP2D6CYP2C19RAB9A
SCHEMBL2808761 0.89 BDKRB1 (0.40) CTSLCYP1A2CYP2D6CYP2C19RAB9A
SCHEMBL14856464 0.89 CNR2 (0.35) ARCTSLCYP1A2CYP2D6CYP2C19
SCHEMBL2808185 0.88 RAB9A (0.37) CTSLCYP1A2CYP2D6CYP2C19RAB9A
SCHEMBL2806675 0.88 PTK2 (0.38) CTSLCYP1A2CYP2D6CYP2C19RAB9A
SCHEMBL2806105 0.88 CNR2 (0.39) CYP1A2CYP2D6CYP2C19RAB9ACNR2
SCHEMBL2806512 0.88 RAB9A (0.37) CTSLCYP1A2CYP2D6CYP2C19RAB9A
SCHEMBL186307 0.88 RAB9A (0.40) CTSLCYP1A2CYP2D6CYP2C19RAB9A

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 7 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
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
US-20100240669-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-23 US disclosed
US-20100240669-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-23 US 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 AR 1452/4885CTSL 1731/4885CYP1A2 892/4885
US-20100240669-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 AR 1452/4885CTSL 1731/4885CYP1A2 892/4885

“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.