SCHEMBL2808463

SCHEMBL2808463

CC(C)c1ccc(Nc2ccc(CN)nc2)c(C(F)(F)F)c1

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DHFR P00374 1/20 0.33
CHEK1 O14757 7/20 0.33
KIT P10721 1/20 0.33
FLT3 P36888 1/20 0.33
MAPK9 P45984 1/20 0.31
MAPK10 P53779 1/20 0.31
STK17A Q9UEE5 2/20 0.31
STK17B O94768 1/20 0.31
PLG P00747 2/20 0.31
KLK1 P06870 2/20 0.31
KLK6 Q92876 2/20 0.31
PANK3 Q9H999 1/20 0.31
RXRA P19793 1/20 0.30
GRIN1 Q05586 1/20 0.30
GRIN2B Q13224 1/20 0.30
AR P10275 1/20 0.30

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
SCHEMBL186126 0.84 DHODH (0.40) CHEK1KITFLT3STK17A
SCHEMBL185079 0.84 IDO1 (0.36) CHEK1KITFLT3MAPK10STK17A
Hydrochloric Acid SCHEMBL2805866 0.83 IDO1 (0.38) CHEK1KITFLT3MAPK10STK17A
SCHEMBL186705 0.83 ALDH1A1 (0.40) CHEK1KITFLT3
SCHEMBL185410 0.81 RAB9A (0.39) STK17ASTK17B
SCHEMBL186066 0.81 OPRM1 (0.37) CHEK1KITFLT3MAPK10STK17A
SCHEMBL185788 0.81 PIK3CA (0.43) MAPK10
SCHEMBL185313 0.78 ALDH1A1 (0.43) GRIN1GRIN2B
SCHEMBL2810144 0.77 NOTUM (0.43) KITFLT3
SCHEMBL186071 0.76 ACP1 (0.38) DHFRCHEK1KITFLT3MAPK10

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 10 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-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-B1 Compounds as bradykinin B1 antagonists BOEHRINGER INGELHEIM INT (DE) 2013-04-17 EP disclosed
CN-102414177-A Compounds as bradykinin b1 antagonists BOEHRINGER INGELHEIM INT 2012-04-11 CN 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 DHFR 1411/4885CHEK1 4159/4885KIT 989/4885
US-20100240669-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 DHFR 1411/4885CHEK1 4159/4885KIT 989/4885

“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.