SCHEMBL2809208

SCHEMBL2809208

Cc1ncc(C(=O)NC2(C(=O)NCc3ncc(Nc4ccccc4C(F)(F)F)cc3C)CC2)cn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 2/20 0.40
DHODH Q02127 1/20 0.38
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
HDAC3 O15379 2/20 0.36
HDAC1 Q13547 2/20 0.36
HDAC2 Q92769 2/20 0.36
HDAC6 Q9UBN7 2/20 0.36
ALDH1A1 P00352 3/20 0.35
HTT P42858 1/20 0.35
PLA2G1B P04054 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
ALOX12 P18054 1/20 0.35
CYP2C19 P33261 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
ATG4B Q9Y4P1 1/20 0.35
NTRK1 P04629 1/20 0.34
RORC P51449 1/20 0.34
AURKA O14965 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
SCHEMBL2807541 0.92 DHODH (0.35) BDKRB1DHODHMEN1KMT2AHDAC3
SCHEMBL2806114 0.92 BDKRB1 (0.39) BDKRB1DHODHMEN1KMT2AHDAC3
SCHEMBL2805193 0.91 HDAC3 (0.38) BDKRB1DHODHHDAC3HDAC1HDAC2
SCHEMBL2805241 0.90 RAB9A (0.38) BDKRB1DHODHCYP1A2CYP2C19CNR2
SCHEMBL186879 0.88 BDKRB1 (0.44) BDKRB1DHODHMEN1KMT2AALDH1A1
SCHEMBL14856700 0.88 FAAH (0.38) BDKRB1DHODHMEN1KMT2ACYP1A2
SCHEMBL2805217 0.84 P2RX7 (0.36) BDKRB1HDAC3HDAC1HDAC2HDAC6
SCHEMBL2805174 0.84 BDKRB1 (0.41) BDKRB1MEN1KMT2AHDAC3HDAC1
SCHEMBL2805917 0.84 HDAC3 (0.38) BDKRB1HDAC3HDAC1HDAC2HDAC6
SCHEMBL2807780 0.84 BDKRB1 (0.41) BDKRB1DHODHHDAC3HDAC1HDAC2

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 BDKRB1 289/4885DHODH 2925/4885MEN1 314/4885
US-20100240669-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 BDKRB1 289/4885DHODH 2925/4885MEN1 314/4885

“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.