SCHEMBL1644028

SCHEMBL1644028

Nc1nc(-c2cccc(NC(=O)c3c(F)cccc3F)c2)c(-c2ccnc(Nc3ccc4c(c3)CNCC4)n2)s1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 2/20 0.68
▸ KDR P35968 2/20 0.68
▸ AURKB Q96GD4 2/20 0.68
▸ CDK19 Q9BWU1 1/20 0.68
▸ IGF1R P08069 8/20 0.66
▸ EGFR P00533 7/20 0.66
▸ ERBB2 P04626 7/20 0.66
▸ BRAF P15056 4/20 0.63
▸ PRKD3 O94806 1/20 0.47
▸ MAP4K4 O95819 1/20 0.47
▸ CHEK2 O96017 1/20 0.47
▸ NTRK1 P04629 1/20 0.47
▸ INSR P06213 1/20 0.47
▸ LCK P06239 1/20 0.47
▸ FYN P06241 1/20 0.47
▸ CSF1R P07333 1/20 0.47
▸ LYN P07948 1/20 0.47
▸ RET P07949 1/20 0.47
▸ FGFR1 P11362 1/20 0.47
▸ SRC P12931 1/20 0.47

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
SCHEMBL12726479 0.90 AURKA (0.56) AURKAKDRAURKBCDK19IGF1R
SCHEMBL1642232 0.89 IGF1R (0.69) AURKAKDRAURKBCDK19IGF1R
SCHEMBL12726225 0.87 BRAF (0.82) AURKAKDRAURKBCDK19IGF1R
SCHEMBL12726485 0.85 ABL1 (0.53) AURKAKDRAURKBCDK19IGF1R
SCHEMBL12726212 0.85 BRAF (0.58) AURKAKDRAURKBCDK19IGF1R
SCHEMBL1640299 0.84 BRAF (0.60) AURKAKDRAURKBCDK19IGF1R
SCHEMBL1641673 0.84 BRAF (0.68) AURKAKDRAURKBCDK19IGF1R
SCHEMBL1641758 0.83 AURKA (0.59) AURKAKDRAURKBCDK19IGF1R
SCHEMBL3443005 0.81 AURKA (1.00) AURKAKDRAURKBCDK19IGF1R
SCHEMBL1641714 0.81 BRAF (0.55) AURKAKDRAURKBCDK19IGF1R

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 2 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

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 AURKA 76/4885KDR 524/4885AURKB 102/4885

“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.

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