SCHEMBL13268247

SCHEMBL13268247

C=C1Oc2ccc(Nc3nc(Nc4ccc(N5CCN(S(C)(=O)=O)CC5)cc4)ncc3C)cc2N(C)C1=O

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 20/20 0.55
▸ JAK2 O60674 3/20 0.51
▸ FLT3 P36888 2/20 0.51
▸ JAK1 P23458 2/20 0.51
▸ BRD2 P25440 2/20 0.51
▸ JAK3 P52333 2/20 0.51
▸ BRD3 Q15059 2/20 0.51
▸ BRDT Q58F21 2/20 0.51
▸ BUB1B O60566 1/20 0.51
▸ RET P07949 1/20 0.51
▸ WEE1 P30291 1/20 0.51
▸ ALK Q9UM73 1/20 0.51

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
SCHEMBL13268186 0.92 BRD4 (0.55) BRD4JAK2FLT3JAK3RET
SCHEMBL13268233 0.90 BRD4 (0.51) BRD4JAK2FLT3JAK1BRD2
SCHEMBL13268039 0.88 PDGFRA (0.60) BRD4JAK2FLT3JAK3RET
SCHEMBL3114405 0.86 BRD4 (0.58) BRD4JAK2FLT3JAK1BRD2
SCHEMBL3109236 0.85 BRD4 (0.54) BRD4JAK2FLT3JAK1BRD2
SCHEMBL13268014 0.83 BRD4 (0.55) BRD4JAK2FLT3JAK1BRD2
SCHEMBL13268038 0.83 BRD4 (0.66) BRD4JAK2FLT3JAK3RET
SCHEMBL13268232 0.82 BRD4 (0.62) BRD4JAK2FLT3JAK1BRD2
SCHEMBL13268248 0.81 JAK1 (0.64) BRD4JAK2FLT3JAK1BRD2
SCHEMBL13268041 0.81 BRD4 (0.53) BRD4JAK2FLT3JAK1BRD2

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-20130012501-A1 PYRIMIDINEDIAMINE KINASE INHIBITORS RIGEL PHARMACEUTICALS, INC. 2013-01-10 — — US disclosed
US-20100179134-A1 PYRIMIDINEDIAMINE KINASE INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2010-07-15 — — 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 (2 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-20130012501-A1 PYRIMIDINEDIAMINE KINASE INHIBITORS PLK1, TK1, DTYMK BRD4 758/4885JAK2 854/4885FLT3 516/4885
US-20100179134-A1 PYRIMIDINEDIAMINE KINASE INHIBITORS PLK1, TK1, DTYMK BRD4 789/4885JAK2 994/4885FLT3 525/4885

“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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