SCHEMBL186242

SCHEMBL186242

NCc1ncc(Nc2ccccc2Cl)cc1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 9/20 0.44
IDO1 P14902 1/20 0.41
TDO2 P48775 1/20 0.41
AURKB Q96GD4 6/20 0.40
JAK2 O60674 2/20 0.40
KMT2A Q03164 2/20 0.38
ACVRL1 P37023 1/20 0.37
TSHR P16473 1/20 0.36
MEN1 O00255 1/20 0.36
IGF1R P08069 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
ALOX15 P16050 1/20 0.36
HTT P42858 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CYP2C9 P11712 1/20 0.35
MAPK8 P45983 1/20 0.35
MAPK9 P45984 1/20 0.35
MAPK10 P53779 1/20 0.35
MAPK14 Q16539 1/20 0.35

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
SCHEMBL13160097 0.84 MAPT (0.45) KMT2AMEN1ALDH1A1GAAALOX15
SCHEMBL13159824 0.83 AURKA (0.41) AURKAHTTMAPK10
SCHEMBL185004 0.81 EGFR (0.42) AURKAKMT2AMEN1ALDH1A1GAA
SCHEMBL185672 0.80 FLT1 (0.40) AURKAKMT2ATSHRMEN1GAA
SCHEMBL15460610 0.76 TRPM5 (0.33) IDO1KMT2AMEN1ALDH1A1CYP2C9
SCHEMBL185709 0.76 STK17A (0.38) IDO1GAAMAPK10
SCHEMBL185930 0.75 EGFR (0.41) AURKAKMT2AMEN1ALDH1A1GAA
Hydrochloric Acid SCHEMBL15456151 0.75 STK17A (0.37) IDO1GAAMAPK10
Hydrochloric Acid SCHEMBL2806736 0.75 STK17A (0.37) IDO1GAAMAPK10
SCHEMBL185485 0.73 CNR2 (0.37) AURKAIDO1MAPK10CHEK1HDAC3

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 AURKA 3494/4885IDO1 3069/4885TDO2 3957/4885
US-20100240669-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 AURKA 3494/4885IDO1 3069/4885TDO2 3957/4885

“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.