SCHEMBL12726573

SCHEMBL12726573

O=C1COc2cc(Nc3nccc(-c4scnc4-c4cccc(NC(=O)c5cc(F)ccc5F)c4)n3)ccc2N1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A2 O94788 1/20 0.43
▸ ABL1 P00519 3/20 0.41
▸ BCR P11274 3/20 0.41
▸ PDGFRB P09619 2/20 0.41
▸ PDGFRA P16234 2/20 0.41
▸ BRAF P15056 3/20 0.40
▸ EGFR P00533 7/20 0.40
▸ ERBB2 P04626 6/20 0.40
▸ IGF1R P08069 6/20 0.40
▸ SYK P43405 4/20 0.40
▸ CYP3A4 P08684 2/20 0.39
▸ CYP19A1 P11511 2/20 0.39
▸ SRC P12931 2/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ AURKA O14965 1/20 0.39
▸ PRKD3 O94806 1/20 0.39
▸ MAP4K4 O95819 1/20 0.39
▸ CHEK2 O96017 1/20 0.39
▸ NTRK1 P04629 1/20 0.39
▸ INSR P06213 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
Hydrochloric Acid SCHEMBL1641763 0.99 ALDH1A2 (0.42) ALDH1A2ABL1BCRPDGFRBPDGFRA
SCHEMBL12766425 0.95 SYK (0.46) ALDH1A2ABL1BCRPDGFRBPDGFRA
Hydrochloric Acid SCHEMBL1640445 0.94 SYK (0.46) ALDH1A2ABL1BCRPDGFRBPDGFRA
SCHEMBL13815935 0.85 CYP3A4 (0.35) ALDH1A2ABL1BCRPDGFRBPDGFRA
SCHEMBL12726554 0.83 IKBKB (0.46) ABL1PDGFRBPDGFRAEGFRERBB2
Hydrochloric Acid SCHEMBL1641781 0.82 IKBKB (0.45) ABL1PDGFRBPDGFRAEGFRERBB2
SCHEMBL12766551 0.80 BRAF (0.53) BRAFEGFRERBB2IGF1RSYK
SCHEMBL12766967 0.77 IKBKB (0.46) ABL1PDGFRBPDGFRAEGFRERBB2
SCHEMBL1642023 0.77 LCLAT1 (0.47) ALDH1A2ABL1BCRPDGFRBPDGFRA
SCHEMBL1641931 0.77 IGF1R (0.53) ABL1BCRPDGFRBPDGFRAEGFR

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 ALDH1A2 2573/4885ABL1 77/4885BCR 1332/4885

“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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