SCHEMBL2809623

SCHEMBL2809623

Cc1ncc(C(=O)N[C@@]2(C(=O)NCc3ccc(Nc4ccccc4C(F)(F)F)cc3)CCOC2)cn1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 2/20 0.39
SCD O00767 7/20 0.37
AURKA O14965 1/20 0.36
MYC P01106 1/20 0.36
MAX P61244 1/20 0.36
PTK2 Q05397 2/20 0.36
MAPK9 P45984 1/20 0.36
MAPK10 P53779 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
CTDSP1 Q9GZU7 1/20 0.35
HTT P42858 1/20 0.34
ALDH1A1 P00352 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
SCHEMBL2804848 0.93 BDKRB1 (0.38) BDKRB1SCDAURKAMYCMAX
SCHEMBL2812065 0.92 HDAC3 (0.38) BDKRB1SCDAURKAPTK2MAPK9
SCHEMBL2807539 0.92 MYC (0.39) BDKRB1SCDAURKAMYCMAX
SCHEMBL2807536 0.92 MYC (0.39) BDKRB1SCDAURKAMYCMAX
SCHEMBL2805499 0.91 BDKRB1 (0.41) BDKRB1SCDAURKAPTK2
SCHEMBL2806710 0.90 BDKRB1 (0.46) BDKRB1SCDAURKAMYCMAX
SCHEMBL2809544 0.90 OPRL1 (0.39) BDKRB1PTK2HDAC3HDAC1HDAC2
SCHEMBL2808827 0.89 MYC (0.39) BDKRB1SCDAURKAMYCMAX
SCHEMBL2809400 0.89 HDAC1 (0.41) BDKRB1SCDAURKAMYCMAX
SCHEMBL2809397 0.89 HDAC1 (0.41) BDKRB1SCDAURKAMYCMAX

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 6 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
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 289/4885SCD 4859/4885AURKA 3494/4885
US-20100240669-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 BDKRB1 289/4885SCD 4859/4885AURKA 3494/4885

“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.