SCHEMBL1640546

SCHEMBL1640546

Cc1nc(-c2cccc(N)c2)c(-c2ccnc(Nc3ccc(OCCN(C)C)c(Cl)c3)n2)s1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 9/20 0.51
CDK4 P11802 8/20 0.51
EGFR P00533 4/20 0.48
CAMK2D Q13557 1/20 0.45
CDK5 Q00535 2/20 0.44
MEN1 O00255 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
KMT2A Q03164 1/20 0.44
CDK5R1 Q15078 1/20 0.44
CDK1 P06493 3/20 0.44
AURKA O14965 2/20 0.44
CDK7 P50613 2/20 0.44
CDK9 P50750 2/20 0.44
PLK1 P53350 1/20 0.42
CCNE1 P24864 1/20 0.41
AURKB Q96GD4 1/20 0.41
KDR P35968 2/20 0.40
ABL1 P00519 1/20 0.40
BCR P11274 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
SCHEMBL13815938 0.89 CDK2 (0.47) CDK2CDK4EGFRCDK1AURKA
SCHEMBL1641631 0.87 CDK2 (0.55) CDK2CDK4EGFRCDK5CDK5R1
SCHEMBL1641862 0.84 KDR (0.52) CDK2CDK4EGFRCDK7KDR
SCHEMBL1641857 0.84 SLC2A1 (0.54) EGFRAURKAAURKBKDRABL1
SCHEMBL1640393 0.84 KDR (0.52) CDK2CDK4EGFRAURKACDK7
SCHEMBL1640795 0.83 EGFR (0.50) EGFRCDK7KDRABL1BCR
SCHEMBL1641982 0.82 BRAF (0.51) CDK2CDK4EGFRKDR
SCHEMBL1641782 0.82 EGFR (0.46) CDK2CDK4EGFRCDK9CCNE1
SCHEMBL2258890 0.81 CDK2 (0.44) CDK2CDK4EGFRCAMK2DCDK1
SCHEMBL12766445 0.79 SLC2A1 (0.53) EGFRAURKAAURKBKDRABL1

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-20110098296-A1 Thiazole And Oxazole Kinase Inhibitors GLAXOSMITHKLINE LLC 2011-04-28 US disclosed
US-20110098296-A1 Thiazole And Oxazole Kinase Inhibitors GLAXOSMITHKLINE LLC 2011-04-28 US disclosed
US-20110098296-A1 Thiazole And Oxazole Kinase Inhibitors GLAXOSMITHKLINE LLC 2011-04-28 US disclosed
EP-2231625-A1 THIAZOLE AND OXAZOLE KINASE INHIBITORS GlaxoSmithKline LLC (US) 2010-09-29 EP disclosed
WO-2009076140-A1 THIAZOLE AND OXAZOLE KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2009-06-18 WO disclosed
WO-2009076140-A1 THIAZOLE AND OXAZOLE KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2009-06-18 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-20110098296-A1 Thiazole And Oxazole Kinase Inhibitors PDXK, MAP3K1, MAP4K2 CDK2 34/4885CDK4 40/4885EGFR 478/4885

“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.