SCHEMBL185996

SCHEMBL185996

NCc1ccc(Nc2ccc(F)cc2Cl)cn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDO2 P48775 1/20 0.41
AURKA O14965 1/20 0.40
STK17B O94768 2/20 0.39
STK17A Q9UEE5 2/20 0.39
GAA P10253 2/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
MAPK14 Q16539 2/20 0.38
POLB P06746 1/20 0.38
CSF1R P07333 1/20 0.38
MAPK1 P28482 1/20 0.37
ALOX15 P16050 3/20 0.36
ALDH1A1 P00352 1/20 0.36
HTT P42858 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
GRM4 Q14833 1/20 0.36
BCDIN3D Q7Z5W3 1/20 0.35
SOS1 Q07889 1/20 0.35
KDM4E B2RXH2 1/20 0.34
EGFR P00533 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
SCHEMBL185800 0.87 MAPK1 (0.42) GAAKMT2AMEN1POLBMAPK1
SCHEMBL185862 0.84 DHODH (0.42) GAAKMT2AMEN1ALOX15ALDH1A1
SCHEMBL185188 0.84 KMT2A (0.39) STK17BSTK17AGAAKMT2AMEN1
SCHEMBL185079 0.81 IDO1 (0.36) AURKASTK17BSTK17AKMT2AMEN1
Hydrochloric Acid SCHEMBL2805866 0.80 IDO1 (0.38) AURKASTK17BSTK17AKMT2AMEN1
SCHEMBL27762497 0.79 LOXL2 (0.47) TDO2AURKAGAAKMT2AMAPK14
SCHEMBL19418545 0.79 SOS1 (0.32) STK17BSTK17ASOS1
SCHEMBL186071 0.78 ACP1 (0.38) AURKASTK17BSTK17AKMT2AMEN1
SCHEMBL2808640 0.76 AKT2 (0.44) AURKAKMT2AMAPK14CSF1RGRM4
SCHEMBL15379850 0.76 TDP1 (0.48) TDO2AURKAGAAKMT2AMEN1

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
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
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 TDO2 3957/4885AURKA 3494/4885STK17B 4422/4885
US-20100240669-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 TDO2 3957/4885AURKA 3494/4885STK17B 4422/4885

“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.