SCHEMBL185437

SCHEMBL185437

CC(N)c1ccc(Nc2ccccc2C(F)(F)F)cn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
TDP1 Q9NUW8 2/20 0.45
POLB P06746 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
AURKA O14965 2/20 0.40
KMT2A Q03164 4/20 0.40
EGFR P00533 2/20 0.40
MEN1 O00255 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
EPHX2 P34913 1/20 0.37
SLC22A12 Q96S37 1/20 0.37
FLT4 P35916 1/20 0.37
USP2 O75604 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
ALOX15 P16050 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL185873 0.84 SCN1A (0.34) ALDH1A1AURKAKMT2AMEN1FLT4
SCHEMBL27870352 0.83 ALDH1A1 (0.42) ALDH1A1TDP1POLBL3MBTL1AURKA
SCHEMBL27870350 0.83 AURKA (0.45) ALDH1A1TDP1POLBAURKAKMT2A
SCHEMBL185604 0.82 RAB9A (0.38) ALDH1A1L3MBTL1KMT2AMEN1NPSR1
SCHEMBL185791 0.82 OPRM1 (0.38) EGFRTRPV1
SCHEMBL185795 0.81 JAK1 (0.39) ALDH1A1KMT2AMEN1EPHX2SLC22A12
Hydrochloric Acid SCHEMBL2805240 0.80 JAK1 (0.38) ALDH1A1KMT2AEGFRMEN1EPHX2
SCHEMBL185313 0.78 ALDH1A1 (0.43) ALDH1A1TDP1POLBL3MBTL1AURKA
Trifluoroacetic Acid SCHEMBL185819 0.76 MPO (0.36) EGFR
SCHEMBL27870351 0.75 ALDH1A1 (0.43) ALDH1A1TDP1POLBL3MBTL1AURKA

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102414177-B Compounds as bradykinin B1 antagonists BOEHRINGER INGELHEIM INT 2014-07-02 CN 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
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 ALDH1A1 1000/4885TDP1 2237/4885POLB 3203/4885
US-20100240669-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 ALDH1A1 1000/4885TDP1 2237/4885POLB 3203/4885

“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.