SCHEMBL1640332

SCHEMBL1640332

CN(C(=O)C1CCCCC1)c1cccc(-c2nc(N)sc2-c2ccnc(Nc3ccc4c(c3)CNCC4)n2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 1/20 0.42
▸ KDR P35968 1/20 0.42
▸ AURKB Q96GD4 1/20 0.42
▸ CDK19 Q9BWU1 1/20 0.42
▸ ACVR1 Q04771 3/20 0.42
▸ EGFR P00533 3/20 0.41
▸ ERBB2 P04626 2/20 0.41
▸ IGF1R P08069 2/20 0.41
▸ BRAF P15056 3/20 0.40
▸ KCNH2 Q12809 1/20 0.39
▸ BTK Q06187 2/20 0.39
▸ ABL1 P00519 1/20 0.39
▸ PDGFRB P09619 1/20 0.39
▸ BCR P11274 1/20 0.39
▸ SRC P12931 1/20 0.39
▸ PDGFRA P16234 1/20 0.39
▸ SYK P43405 1/20 0.38
▸ WEE1 P30291 2/20 0.38
▸ CDK4 P11802 1/20 0.37
▸ CCNE1 P24864 1/20 0.37

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
SCHEMBL12726485 0.86 ABL1 (0.53) AURKAKDRAURKBCDK19ACVR1
SCHEMBL1641842 0.84 BRAF (0.45) BRAFBTK
SCHEMBL1640538 0.84 KDR (0.45) AURKAKDRAURKBCDK19ACVR1
SCHEMBL1641756 0.80 EGFR (0.42) AURKAKDRAURKBEGFRIGF1R
SCHEMBL1640584 0.79 EGFR (0.44) KDRCDK19EGFRIGF1RBRAF
SCHEMBL1641859 0.78 TGFBR1 (0.40) BRAF
SCHEMBL1644028 0.78 AURKA (0.68) AURKAKDRAURKBCDK19ACVR1
SCHEMBL12726479 0.76 AURKA (0.56) AURKAKDRAURKBCDK19ACVR1
SCHEMBL1641850 0.75 EGFR (0.47) AURKAKDRAURKBCDK19ACVR1
SCHEMBL1640751 0.74 MAPK14 (0.37) —

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 1 patent. 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

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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