SCHEMBL13268016

SCHEMBL13268016

C=C1Oc2ccc(Nc3nc(Nc4ccc(N5CCN(C)CC5)c(C)c4)ncc3C)nc2N(C)C1=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 10/20 0.51
▸ TNK2 Q07912 3/20 0.49
▸ JAK2 O60674 6/20 0.49
▸ JAK3 P52333 6/20 0.49
▸ FLT3 P36888 3/20 0.48
▸ JAK1 P23458 2/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ SLC2A1 P11166 1/20 0.45
▸ BRDT Q58F21 2/20 0.45
▸ PDGFRB P09619 2/20 0.45
▸ PDGFRA P16234 2/20 0.45
▸ KDR P35968 2/20 0.45
▸ CDC7 O00311 1/20 0.45
▸ PLK4 O00444 1/20 0.45
▸ CHEK1 O14757 1/20 0.45
▸ AURKA O14965 1/20 0.45
▸ DCLK1 O15075 1/20 0.45
▸ PDPK1 O15530 1/20 0.45
▸ DAPK3 O43293 1/20 0.45
▸ ROCK2 O75116 1/20 0.45

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
SCHEMBL13268027 0.89 BRD4 (0.58) BRD4JAK2JAK3FLT3JAK1
SCHEMBL13268014 0.88 BRD4 (0.55) BRD4TNK2JAK2JAK3FLT3
SCHEMBL13268177 0.88 JAK1 (0.57) BRD4JAK2JAK3FLT3JAK1
SCHEMBL12854451 0.86 BRD4 (0.52) BRD4TNK2JAK2JAK3FLT3
SCHEMBL13268122 0.85 BRD4 (0.51) BRD4TNK2JAK2JAK3FLT3
SCHEMBL12854456 0.85 BRD4 (0.50) BRD4TNK2JAK2JAK3FLT3
SCHEMBL13268246 0.84 BRD4 (0.53) BRD4TNK2JAK2JAK3FLT3
SCHEMBL14553233 0.84 JAK1 (0.43) BRD4JAK2JAK3FLT3JAK1
SCHEMBL13268041 0.82 BRD4 (0.53) BRD4JAK2JAK3FLT3JAK1
SCHEMBL14482288 0.82 BRD4 (0.59) BRD4TNK2JAK2JAK3FLT3

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 758/4885TNK2 39/4885JAK2 854/4885
US-20100179134-A1 PYRIMIDINEDIAMINE KINASE INHIBITORS PLK1, TK1, DTYMK BRD4 789/4885TNK2 68/4885JAK2 994/4885

“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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