SCHEMBL2763582

SCHEMBL2763582

O=C(Nc1ccc(Oc2ccnc(NCCCO)n2)cc1)Nc1cccc(OC(F)(F)F)c1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BRAF P15056 10/20 0.57
KDR P35968 10/20 0.57
MAPK14 Q16539 4/20 0.57
TNNI3K Q59H18 4/20 0.57
FLT3 P36888 1/20 0.49
ABL1 P00519 1/20 0.46
CSNK2A1 P68400 1/20 0.46
SCN9A Q15858 1/20 0.46
EPHX2 P34913 2/20 0.45
NAMPT P43490 1/20 0.45
RAF1 P04049 2/20 0.44

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
SCHEMBL2763083 0.92 KDR (0.52) BRAFKDRMAPK14TNNI3KABL1
SCHEMBL2762819 0.89 KDR (0.74) BRAFKDRMAPK14TNNI3KABL1
SCHEMBL2762297 0.86 KDR (0.52) BRAFKDRMAPK14TNNI3K
SCHEMBL2762754 0.85 BRAF (0.63) BRAFKDRMAPK14TNNI3KABL1
SCHEMBL2762348 0.83 KDR (0.76) BRAFKDRMAPK14TNNI3KABL1
SCHEMBL2762478 0.82 KDR (0.68) BRAFKDRMAPK14TNNI3KFLT3
SCHEMBL2762417 0.81 KDR (0.59) BRAFKDRMAPK14TNNI3KABL1
SCHEMBL2763291 0.81 KDR (0.50) BRAFKDRMAPK14TNNI3K
SCHEMBL2762586 0.81 KDR (0.47) BRAFKDRMAPK14TNNI3KSCN9A
SCHEMBL2763212 0.81 KDR (0.52) BRAFKDRMAPK14TNNI3KRAF1

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
US-8080552-B2 Pyrimidyl derivatives as protein kinase inhibitors HOFFMANN-LA ROCHE INC. (US) 2011-12-20 US claimed
EP-2102173-B1 PYRIMIDYL DERIVATIVES AS PROTEIN KINASE INHIBITORS HOFFMANN LA ROCHE (CH) 2010-10-20 EP claimed
US-20100041684-A1 PYRIMIDYL DERIVATIVES AS PROTEIN KINASE INHIBITORS HOFFMANN-LA ROCHE, INC. 2010-02-18 US claimed
US-8080552-B2 Pyrimidyl derivatives as protein kinase inhibitors HOFFMANN-LA ROCHE INC. (US) 2011-12-20 US disclosed
EP-2102173-B1 PYRIMIDYL DERIVATIVES AS PROTEIN KINASE INHIBITORS HOFFMANN LA ROCHE (CH) 2010-10-20 EP disclosed
US-20100041684-A1 PYRIMIDYL DERIVATIVES AS PROTEIN KINASE INHIBITORS HOFFMANN-LA ROCHE, INC. 2010-02-18 US disclosed
EP-2102173-A1 PYRIMIDYL DERIVATIVES AS PROTEIN KINASE INHIBITORS F. Hoffmann-Roche AG (CH) 2009-09-23 EP disclosed
WO-2008077548-A1 PYRIMIDYL DERIVATIVES AS PROTEIN KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2008-07-03 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 (1 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-20100041684-A1 PYRIMIDYL DERIVATIVES AS PROTEIN KINASE INHIBITORS MAP3K5, MAP3K1, MAP4K2 BRAF 47/4885KDR 1270/4885MAPK14 111/4885

“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.