SCHEMBL1641850

SCHEMBL1641850

Nc1nc(-c2cccc(OCc3ccccc3)c2)c(-c2ccnc(Nc3ccc4c(c3)CNCC4)n2)s1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 2/20 0.47
▸ ERBB2 P04626 2/20 0.47
▸ IGF1R P08069 2/20 0.47
▸ ACVR1 Q04771 4/20 0.46
▸ SYK P43405 3/20 0.46
▸ KCNH2 Q12809 1/20 0.43
▸ AURKA O14965 1/20 0.43
▸ KDR P35968 1/20 0.43
▸ AURKB Q96GD4 1/20 0.43
▸ CDK19 Q9BWU1 1/20 0.43
▸ BRAF P15056 1/20 0.41
▸ AXL P30530 4/20 0.40
▸ TYRO3 Q06418 4/20 0.40
▸ MERTK Q12866 4/20 0.40
▸ BTK Q06187 1/20 0.39

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
SCHEMBL1640487 0.81 BRAF (0.46) EGFRERBB2IGF1RSYKBRAF
SCHEMBL1644028 0.78 AURKA (0.68) EGFRERBB2IGF1RACVR1SYK
SCHEMBL1641713 0.78 SYK (0.49) EGFRIGF1RSYKKCNH2AURKA
SCHEMBL12726485 0.77 ABL1 (0.53) EGFRERBB2IGF1RACVR1SYK
SCHEMBL13816255 0.77 SYK (0.48) EGFRIGF1RSYKKCNH2AURKA
SCHEMBL1641782 0.76 EGFR (0.46) EGFRERBB2IGF1RSYKKDR
SCHEMBL12726479 0.76 AURKA (0.56) EGFRERBB2IGF1RACVR1KCNH2
SCHEMBL1640332 0.75 AURKA (0.42) EGFRERBB2IGF1RACVR1SYK
SCHEMBL1641024 0.74 IGF1R (0.47) EGFRIGF1RSYKKCNH2KDR
SCHEMBL1640538 0.74 KDR (0.45) EGFRERBB2IGF1RACVR1KCNH2

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 4 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
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 EGFR 478/4885ERBB2 69/4885IGF1R 396/4885

“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.

Send feedback