SCHEMBL13268246

SCHEMBL13268246

C=C1Oc2ccc(Nc3nc(Nc4ccc(N5CCN(C)CC5)c(C)c4)ncc3C)cc2N(CC)C1=O

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 16/20 0.53
▸ JAK2 O60674 3/20 0.49
▸ FLT3 P36888 2/20 0.49
▸ JAK1 P23458 3/20 0.48
▸ JAK3 P52333 3/20 0.48
▸ CYP3A4 P08684 1/20 0.48
▸ BRDT Q58F21 2/20 0.48
▸ BRD2 P25440 1/20 0.48
▸ BRD3 Q15059 1/20 0.48
▸ TNK2 Q07912 1/20 0.48
▸ PDGFRB P09619 1/20 0.47
▸ PDGFRA P16234 1/20 0.47

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
SCHEMBL13268232 0.92 BRD4 (0.62) BRD4JAK2FLT3JAK1JAK3
SCHEMBL13268014 0.90 BRD4 (0.55) BRD4JAK2FLT3JAK1JAK3
SCHEMBL13268023 0.86 BRD4 (0.61) BRD4JAK2FLT3JAK1JAK3
SCHEMBL12854617 0.86 BRD4 (0.54) BRD4JAK2FLT3JAK1JAK3
SCHEMBL13268185 0.85 PDGFRA (0.60) BRD4JAK2FLT3JAK3TNK2
SCHEMBL13268225 0.85 JAK1 (0.60) BRD4JAK2FLT3JAK1JAK3
SCHEMBL3120300 0.85 BRD4 (0.53) BRD4JAK2FLT3JAK1JAK3
SCHEMBL13268245 0.84 BRD4 (0.62) BRD4JAK2FLT3JAK3TNK2
SCHEMBL13268016 0.84 BRD4 (0.51) BRD4JAK2FLT3JAK1JAK3
SCHEMBL13268042 0.83 TNK2 (0.56) BRD4FLT3TNK2

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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