SCHEMBL12766967

SCHEMBL12766967

O=C(Cc1cccs1)Nc1cccc(-c2ncsc2-c2ccnc(Nc3ccc4c(c3)NC(=O)CO4)n2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IKBKB O14920 2/20 0.46
▸ SYK P43405 6/20 0.42
▸ EGFR P00533 8/20 0.41
▸ IGF1R P08069 8/20 0.41
▸ ERBB2 P04626 7/20 0.41
▸ AURKA O14965 3/20 0.41
▸ PRKD3 O94806 3/20 0.41
▸ MAP4K4 O95819 3/20 0.41
▸ INSR P06213 3/20 0.41
▸ LCK P06239 3/20 0.41
▸ FYN P06241 3/20 0.41
▸ LYN P07948 3/20 0.41
▸ RET P07949 3/20 0.41
▸ FGFR1 P11362 3/20 0.41
▸ FLT4 P35916 3/20 0.41
▸ KDR P35968 3/20 0.41
▸ FRK P42685 3/20 0.41
▸ MAPK8 P45983 3/20 0.41
▸ MAPK9 P45984 3/20 0.41
▸ BLK P51451 3/20 0.41

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
Hydrochloric Acid SCHEMBL1640793 0.99 IKBKB (0.45) IKBKBSYKEGFRIGF1RERBB2
SCHEMBL12726554 0.95 IKBKB (0.46) IKBKBSYKEGFRIGF1RERBB2
Hydrochloric Acid SCHEMBL1641781 0.94 IKBKB (0.45) IKBKBSYKEGFRIGF1RERBB2
SCHEMBL12766425 0.83 SYK (0.46) SYKEGFRIGF1RERBB2AURKA
Hydrochloric Acid SCHEMBL1640445 0.82 SYK (0.46) SYKEGFRIGF1RERBB2AURKA
SCHEMBL12726553 0.80 IGF1R (0.54) IKBKBSYKEGFRIGF1RERBB2
SCHEMBL1641750 0.79 IGF1R (0.51) IKBKBSYKEGFRIGF1RERBB2
SCHEMBL1641950 0.79 IKBKB (0.46) IKBKBSYKEGFRIGF1RERBB2
SCHEMBL14073519 0.78 KMT2A (0.55) SMN1; SMN2MEN1POLBKMT2ANPC1
SCHEMBL12726573 0.77 ALDH1A2 (0.43) SYKEGFRIGF1RERBB2AURKA

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 IKBKB 471/4885SYK 341/4885EGFR 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.

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