SCHEMBL2082434

SCHEMBL2082434

O=C(Nc1ccc(Oc2cc(-c3cscn3)ncn2)cc1)Nc1cc(C2CCCC2)nn1-c1cccc(-c2cn[nH]c2)c1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KCNJ6 P48051 14/20 0.49
KCNJ3 P48549 14/20 0.49
KCNJ5 P48544 11/20 0.49
NTRK1 P04629 1/20 0.46
BRAF P15056 3/20 0.43
RAF1 P04049 2/20 0.41
MAPK14 Q16539 1/20 0.40

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
SCHEMBL2083312 0.87 FLT3 (0.52) NTRK1BRAFMAPK14
SCHEMBL13859627 0.75 KCNJ6 (0.69) KCNJ6KCNJ3KCNJ5NTRK1BRAF
SCHEMBL4303949 0.71 KCNJ6 (0.58) KCNJ6KCNJ3KCNJ5NTRK1BRAF
SCHEMBL2083435 0.68 MAPK14 (0.47) BRAFRAF1MAPK14
SCHEMBL2245642 0.68 KCNJ6 (0.60) KCNJ6KCNJ3KCNJ5BRAFRAF1
SCHEMBL2241149 0.67 MAPK14 (0.62) KCNJ6KCNJ3KCNJ5NTRK1BRAF
SCHEMBL2243743 0.67 KCNJ6 (0.58) KCNJ6KCNJ3KCNJ5BRAFRAF1
SCHEMBL2243426 0.65 MAPK14 (0.62) KCNJ6KCNJ3KCNJ5NTRK1BRAF
SCHEMBL2082265 0.64 BRAF (0.57) NTRK1BRAFMAPK14
SCHEMBL2240721 0.64 KCNJ6 (0.58) KCNJ6KCNJ3KCNJ5BRAFRAF1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1835934-A2 ENZYME MODULATORS AND TREATMENTS Deciphera Pharmaceuticals, LLC (US) 2007-09-26 EP claimed
US-20070078121-A1 Enzyme modulators and treatments DECIPHERA PHARMACEUTICALS, LLC 2007-04-05 US claimed
WO-2006071940-A2 ENZYME MODULATORS AND TREATMENTS DECIPHERA PHARMACEUTICALS, LLC (US) 2006-07-06 WO claimed
US-8163756-B2 For example,1-(3-t-butyl-1- (1,2,3,4-tetrahydro- isoquinolin-6-yl)-1H- pyrazol-5-yl)-3-(3- cyanophenyl)urea; for treatment of mammalian cancers and inflammatory diseases including rheumatoid arthritis, retinopathies DECIPHERA PHARMACEUTICALS, LLC (US) 2012-04-24 US disclosed
US-20080113967-A1 ENZYME MODULATORS AND TREATMENTS DECIPHERA PHARMACEUTICALS, LLC (US) 2008-05-15 US disclosed
EP-1835934-A2 ENZYME MODULATORS AND TREATMENTS Deciphera Pharmaceuticals, LLC (US) 2007-09-26 EP disclosed
US-20070078121-A1 Enzyme modulators and treatments DECIPHERA PHARMACEUTICALS, LLC 2007-04-05 US disclosed
WO-2006071940-A2 ENZYME MODULATORS AND TREATMENTS DECIPHERA PHARMACEUTICALS, LLC (US) 2006-07-06 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-20070078121-A1 Enzyme modulators and treatments ABL1, ABL2, LCK KCNJ6 4192/4885KCNJ3 4273/4885KCNJ5 4319/4885
US-20080113967-A1 ENZYME MODULATORS AND TREATMENTS ABL2, BRAF, MAP3K1 KCNJ6 3243/4885KCNJ3 3372/4885KCNJ5 3284/4885

“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.