Sugi Predict

Sugi Predict / Compounds / SCHEMBL2805174

SCHEMBL2805174

SCHEMBL2805174

Cc1ncc(C(=O)NC2(C(=O)NCc3ccc(Nc4ccccc4C(F)(F)F)cc3F)CC2)cn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BDKRB1 P46663 10/20 0.41
▸ CNR1 P21554 1/20 0.40
▸ HDAC3 O15379 1/20 0.38
▸ HDAC1 Q13547 1/20 0.38
▸ HDAC2 Q92769 1/20 0.38
▸ HDAC6 Q9UBN7 1/20 0.38
▸ PTK2 Q05397 1/20 0.37
▸ NTRK1 P04629 1/20 0.37
▸ AURKA O14965 1/20 0.36
▸ P2RX7 Q99572 1/20 0.35
▸ EGFR P00533 1/20 0.35
▸ BRAF P15056 1/20 0.35
▸ MAPK10 P53779 2/20 0.35
▸ MAPK9 P45984 1/20 0.35
▸ MEN1 O00255 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ KMT2A Q03164 1/20 0.34

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
SCHEMBL2811762 0.92 BDKRB1 (0.35) BDKRB1CNR1HDAC3HDAC1HDAC2
SCHEMBL2808781 0.91 HDAC3 (0.41) BDKRB1CNR1HDAC3HDAC1HDAC2
SCHEMBL185883 0.88 FAAH (0.42) BDKRB1CNR1NTRK1P2RX7HPGD
SCHEMBL14865400 0.87 BDKRB1 (0.34) BDKRB1CNR1HDAC6NTRK1P2RX7
SCHEMBL2809208 0.84 BDKRB1 (0.40) BDKRB1HDAC3HDAC1HDAC2HDAC6
SCHEMBL2806388 0.84 HDAC3 (0.38) BDKRB1HDAC3HDAC1HDAC2HDAC6
SCHEMBL2811531 0.83 BDKRB1 (0.37) BDKRB1CNR1PTK2NTRK1P2RX7
SCHEMBL2806114 0.83 BDKRB1 (0.39) BDKRB1HDAC3HDAC1HDAC2HDAC6
SCHEMBL10070758 0.81 EPHX2 (0.40) BDKRB1P2RX7
SCHEMBL185850 0.81 FAAH (0.38) BDKRB1CNR1NTRK1P2RX7MAPK10

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 289/4885CNR1 211/4885HDAC3 1696/4885
US-20100240669-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 BDKRB1 289/4885CNR1 211/4885HDAC3 1696/4885

“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.