SCHEMBL185082

SCHEMBL185082

C/C(=N\O)c1ccc(Nc2ccc(F)cc2C(F)(F)F)cn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIT P10721 2/20 0.38
FLT3 P36888 2/20 0.38
MT-CO1 P00395 1/20 0.37
MT-CO2 P00403 1/20 0.37
EDNRA P25101 1/20 0.37
OPRM1 P35372 1/20 0.37
HTR2B P41595 1/20 0.37
KCNH2 Q12809 1/20 0.37
AURKA O14965 4/20 0.36
CHEK2 O96017 1/20 0.36
CSF1R P07333 1/20 0.36
RET P07949 1/20 0.36
FLT4 P35916 1/20 0.36
ABL2 P42684 1/20 0.36
BLK P51451 1/20 0.36
LIMK1 P53667 1/20 0.36
AURKB Q96GD4 1/20 0.36
DHODH Q02127 1/20 0.34
KDR P35968 1/20 0.34
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL2808251 1.00 KIT (0.38) KITFLT3MT-CO1MT-CO2EDNRA
SCHEMBL2808253 1.00 KIT (0.38) KITFLT3MT-CO1MT-CO2EDNRA
SCHEMBL2811620 0.88 RAB9A (0.39) KITFLT3DHODHKDRKDM4E
SCHEMBL14856502 0.88 RAB9A (0.39) KITFLT3DHODHKDRKDM4E
SCHEMBL184859 0.88 OPRM1 (0.37) KITFLT3MT-CO1MT-CO2EDNRA
SCHEMBL2811511 0.88 OPRM1 (0.37) KITFLT3MT-CO1MT-CO2EDNRA
SCHEMBL2811623 0.88 RAB9A (0.39) KITFLT3DHODHKDRKDM4E
SCHEMBL185903 0.85 KIT (0.44) KITFLT3AURKACHEK2CSF1R
SCHEMBL2808003 0.85 KDM4E (0.41) KITFLT3AURKAKDM4E
SCHEMBL2808006 0.85 KDM4E (0.41) KITFLT3AURKAKDM4E

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 KIT 989/4885FLT3 632/4885MT-CO1 672/4885
US-20100240669-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 KIT 989/4885FLT3 632/4885MT-CO1 672/4885

“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.