SCHEMBL186299

SCHEMBL186299

CCOc1ccc(Nc2ccc(C#N)cc2)c(C(F)(F)F)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 4/20 0.44
GAA P10253 1/20 0.44
KDM4E B2RXH2 4/20 0.44
ALDH1A1 P00352 2/20 0.44
HPGD P15428 2/20 0.44
HSD17B10 Q99714 1/20 0.44
HTT P42858 1/20 0.41
RXFP1 Q9HBX9 2/20 0.40
SLC2A1 P11166 1/20 0.40
EHMT2 Q96KQ7 1/20 0.40
KMT2A Q03164 2/20 0.39
LMNA P02545 2/20 0.39
ACP1 P24666 1/20 0.39
MEN1 O00255 1/20 0.39
PAX8 Q06710 1/20 0.39
MAPT P10636 2/20 0.39
TP53 P04637 1/20 0.39
CSNK1A1 P48729 1/20 0.39
CSNK1D P48730 1/20 0.39
GSK3B P49841 1/20 0.39

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
SCHEMBL674094 0.86 ACP1 (0.49) ARGAAKMT2AACP1MEN1
SCHEMBL185487 0.85 AR (0.41) ARGAAKDM4EALDH1A1ACP1
SCHEMBL202821 0.82 AR (0.42) ARGAAACP1CSNK1A1CSNK1D
SCHEMBL185836 0.81 KLKB1 (0.46) GAAKDM4EALDH1A1HPGDHTT
SCHEMBL11677967 0.79 GAA (0.56) GAAKDM4EALDH1A1HPGDHSD17B10
SCHEMBL22852846 0.75 TAS2R14 (0.46) ARGAAKDM4EALDH1A1HPGD
SCHEMBL30294729 0.75 TAS2R14 (0.46) ARGAAKDM4EALDH1A1HPGD
SCHEMBL6832427 0.74 AR (0.71) AR
SCHEMBL509602 0.72 NQO1 (0.67) GAAALDH1A1LMNAMAPTTP53
SCHEMBL16481443 0.72 SLC22A12 (0.55) GAAKDM4EALDH1A1ACP1MAPT

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 5 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
EP-2401256-B1 Compounds as bradykinin B1 antagonists BOEHRINGER INGELHEIM INT (DE) 2013-04-17 EP disclosed
EP-2401256-A1 COMPOUNDS AS BRADYKININ B1 ANTAGONISTS Boehringer Ingelheim International GmbH (DE) 2012-01-04 EP 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 1452/4885GAA 1561/4885KDM4E 4133/4885
US-20100240669-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 AR 1452/4885GAA 1561/4885KDM4E 4133/4885

“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.