SCHEMBL185676

SCHEMBL185676

C/C(=N/O)c1ccc(Nc2ccccc2C(F)(F)F)cn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
GRIN2D O15399 1/20 0.40
GRIN3B O60391 1/20 0.40
GRIN1 Q05586 1/20 0.40
GRIN2A Q12879 1/20 0.40
GRIN2B Q13224 1/20 0.40
GRIN2C Q14957 1/20 0.40
GRIN3A Q8TCU5 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
KMT2A Q03164 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
HTT P42858 2/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
MAPK1 P28482 1/20 0.39
NTSR1 P30989 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KIT P10721 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
SCHEMBL2808006 1.00 KDM4E (0.41) KDM4EALDH1A1TDP1GRIN2DGRIN3B
SCHEMBL2808003 1.00 KDM4E (0.41) KDM4EALDH1A1TDP1GRIN2DGRIN3B
SCHEMBL185082 0.85 KIT (0.38) KDM4EKITFLT3AURKA
SCHEMBL2808253 0.85 KIT (0.38) KDM4EKITFLT3AURKA
SCHEMBL2808251 0.85 KIT (0.38) KDM4EKITFLT3AURKA
SCHEMBL185694 0.84 AKR1C3 (0.47) KDM4EALDH1A1TDP1KMT2ANPSR1
SCHEMBL2811620 0.83 RAB9A (0.39) KDM4EALDH1A1KMT2AHTTTP53
SCHEMBL2811623 0.83 RAB9A (0.39) KDM4EALDH1A1KMT2AHTTTP53
SCHEMBL14856502 0.83 RAB9A (0.39) KDM4EALDH1A1KMT2AHTTTP53
SCHEMBL184859 0.83 OPRM1 (0.37) KDM4EKITFLT3EGFRTAS2R14

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 KDM4E 4133/4885ALDH1A1 1000/4885TDP1 2237/4885
US-20100240669-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 KDM4E 4133/4885ALDH1A1 1000/4885TDP1 2237/4885

“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.