SCHEMBL2807962

SCHEMBL2807962

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F11 P03951 1/20 0.35
P2RX7 Q99572 2/20 0.34
BDKRB1 P46663 5/20 0.33
CNR2 P34972 3/20 0.32
CTSL P07711 2/20 0.32
CTSK P43235 1/20 0.32
PTGES O14684 1/20 0.32
CNR1 P21554 1/20 0.32
IDO1 P14902 1/20 0.31
RORC P51449 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 1/20 0.31
HDAC3 O15379 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31

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
SCHEMBL13128552 0.87 CNR2 (0.39) P2RX7BDKRB1CNR2CTSLRAB9A
SCHEMBL13129248 0.85 HDAC3 (0.39) BDKRB1RORCNPC1RAB9AHDAC3
SCHEMBL2808559 0.82 F11 (0.39) F11P2RX7CNR2NPC1RAB9A
SCHEMBL2811921 0.80 HDAC3 (0.38) P2RX7BDKRB1CNR2CTSKHDAC3
SCHEMBL13129191 0.80 CNR2 (0.39) P2RX7CNR2CNR1RAB9ACYP1A2
SCHEMBL2807389 0.80 BDKRB1 (0.42) BDKRB1CNR2CNR1NPC1RAB9A
SCHEMBL2806218 0.80 BRAF (0.38) BDKRB1CNR2CTSLRORCNPC1
SCHEMBL2810171 0.80 CNR2 (0.37) P2RX7BDKRB1CNR2CTSLRAB9A
SCHEMBL2810010 0.80 RAB9A (0.39) P2RX7BDKRB1CNR2CTSLRAB9A
SCHEMBL2808185 0.79 RAB9A (0.37) P2RX7BDKRB1CNR2CTSLRAB9A

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 F11 224/4885P2RX7 30/4885BDKRB1 289/4885
US-20100240669-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 F11 224/4885P2RX7 30/4885BDKRB1 289/4885

“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.