SCHEMBL2762586

SCHEMBL2762586

O=C(Nc1ccc(Cl)cc1)Nc1ccc(Oc2ccnc(NCCCO)n2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 8/20 0.47
BRAF P15056 1/20 0.47
MAPK14 Q16539 1/20 0.47
TNNI3K Q59H18 1/20 0.47
MET P08581 1/20 0.45
KMT2A Q03164 3/20 0.44
MAPT P10636 3/20 0.44
PDGFRA P16234 1/20 0.44
MEN1 O00255 2/20 0.43
KDM4E B2RXH2 2/20 0.43
HRH3 Q9Y5N1 2/20 0.41
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
CYP1A2 P05177 1/20 0.40
GLA P06280 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CCR4 P51679 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
SCHEMBL2762297 0.90 KDR (0.52) KDRBRAFMAPK14TNNI3KMET
SCHEMBL2763291 0.88 KDR (0.50) KDRBRAFMAPK14TNNI3KMET
SCHEMBL2763083 0.87 KDR (0.52) KDRBRAFMAPK14TNNI3KEPHX2
SCHEMBL2763212 0.87 KDR (0.52) KDRBRAFMAPK14TNNI3KMET
SCHEMBL2762478 0.85 KDR (0.68) KDRBRAFMAPK14TNNI3KMET
SCHEMBL2762782 0.83 KDR (0.55) KDRBRAFMAPK14TNNI3K
SCHEMBL2762807 0.83 KDR (0.48) KDRBRAFMAPK14TNNI3KMET
SCHEMBL2763105 0.82 KDR (0.67) KDRBRAF
SCHEMBL2762816 0.82 BRAF (0.49) KDRBRAFMAPK14TNNI3KMET
SCHEMBL2762754 0.82 BRAF (0.63) KDRBRAFMAPK14TNNI3K

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
EP-2102173-A1 PYRIMIDYL DERIVATIVES AS PROTEIN KINASE INHIBITORS F. Hoffmann-Roche AG (CH) 2009-09-23 EP claimed
WO-2008077548-A1 PYRIMIDYL DERIVATIVES AS PROTEIN KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2008-07-03 WO 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

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 KDR 1270/4885BRAF 47/4885MAPK14 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.