SCHEMBL11919347

SCHEMBL11919347

CP(C)(=O)c1ccc(Nc2ncc(C(F)(F)F)c(NC34CC5C[C@H](C3)C[C@H](C5)C4)n2)cc1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ GSK3A P49840 4/20 0.48
▸ GSK3B P49841 4/20 0.48
▸ AURKA O14965 1/20 0.46
▸ ULK1 O75385 4/20 0.46
▸ ULK2 Q8IYT8 2/20 0.46
▸ PTK2 Q05397 5/20 0.45
▸ FLT3 P36888 5/20 0.44
▸ KIT P10721 4/20 0.44
▸ CHEK1 O14757 1/20 0.43
▸ PTK2B Q14289 1/20 0.42

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
SCHEMBL11915897 1.00 GSK3A (0.48) GSK3AGSK3BAURKAULK1ULK2
SCHEMBL22515365 0.95 AURKA (0.44) GSK3AGSK3BAURKAULK1ULK2
SCHEMBL19288513 0.88 ULK1 (0.43) GSK3AGSK3BAURKAULK1ULK2
SCHEMBL11916313 0.86 PTK2 (0.47) AURKAPTK2FLT3KITCHEK1
SCHEMBL15221834 0.86 GSK3A (0.43) GSK3AGSK3BAURKAULK1ULK2
SCHEMBL15498462 0.83 ULK1 (0.50) AURKAULK1ULK2PTK2FLT3
SCHEMBL19288510 0.81 JAK3 (0.46) AURKAULK1ULK2PTK2FLT3
SCHEMBL15217776 0.81 PTK2 (0.44) AURKAULK1ULK2PTK2FLT3
SCHEMBL11916655 0.79 GSK3A (0.67) GSK3AGSK3BAURKAULK1ULK2
SCHEMBL19313030 0.79 GABBR2 (0.40) GSK3AGSK3BULK1FLT3KIT

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-20120202776-A1 PHOSPHORUS DERIVATIVES AS KINASE INHIBITORS ARIAD PHARMACEUTICALS, INC. (US) 2012-08-09 — — 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-20120202776-A1 PHOSPHORUS DERIVATIVES AS KINASE INHIBITORS PHKA1, PIK3CA, PHKA2 GSK3A 165/4885GSK3B 154/4885AURKA 311/4885

“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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