SCHEMBL185795

SCHEMBL185795

CC(N)c1ccc(Nc2c(F)cccc2C(F)(F)F)cn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 2/20 0.39
JAK3 P52333 2/20 0.39
JAK2 O60674 2/20 0.39
PTGS2 P35354 1/20 0.37
EPHX2 P34913 1/20 0.36
MEN1 O00255 2/20 0.34
CYP1A2 P05177 2/20 0.34
CYP3A4 P08684 2/20 0.34
CYP2D6 P10635 2/20 0.34
CYP2C19 P33261 2/20 0.34
KMT2A Q03164 2/20 0.34
USP2 O75604 1/20 0.34
ALDH1A1 P00352 1/20 0.34
ALOX15 P16050 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CHEK1 O14757 1/20 0.34
MAPK10 P53779 1/20 0.33
SLC22A12 Q96S37 3/20 0.33
TRPV1 Q8NER1 2/20 0.32
TDO2 P48775 2/20 0.32

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
Hydrochloric Acid SCHEMBL2805240 0.99 JAK1 (0.38) JAK1JAK3JAK2PTGS2EPHX2
SCHEMBL27870363 0.84 PTGS2 (0.42) JAK1JAK3JAK2PTGS2EPHX2
SCHEMBL27870364 0.84 PTGS2 (0.37) JAK1JAK3JAK2PTGS2EPHX2
SCHEMBL2839198 0.82 FLT4 (0.37) JAK1JAK3JAK2PTGS2MAPK10
SCHEMBL2806133 0.82 JAK1 (0.32) JAK1JAK3JAK2KITFLT3
SCHEMBL185437 0.81 ALDH1A1 (0.45) EPHX2MEN1CYP1A2CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL2807566 0.81 PTGS2 (0.38) JAK1JAK3JAK2PTGS2MEN1
SCHEMBL185826 0.80 PTGS2 (0.41) JAK1JAK3JAK2PTGS2EPHX2
SCHEMBL2806131 0.79 JAK1 (0.31) JAK1JAK3JAK2
SCHEMBL14856699 0.78 KIT (0.39) JAK1JAK3JAK2PTGS2CHEK1

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 JAK1 936/4885JAK3 2297/4885JAK2 1802/4885
US-20100240669-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 JAK1 936/4885JAK3 2297/4885JAK2 1802/4885

“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.