SCHEMBL13268186

SCHEMBL13268186

C=C1Oc2ccc(Nc3nc(Nc4ccc(N5CCN(S(C)(=O)=O)CC5)cc4)ncc3Cl)cc2N(C)C1=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 14/20 0.55
▸ ALK Q9UM73 4/20 0.52
▸ NEK2 P51955 2/20 0.49
▸ AXL P30530 1/20 0.49
▸ CHEK1 O14757 1/20 0.48
▸ AURKA O14965 1/20 0.48
▸ DAPK3 O43293 1/20 0.48
▸ JAK2 O60674 1/20 0.48
▸ PRKD3 O94806 1/20 0.48
▸ MAP4K4 O95819 1/20 0.48
▸ PAK4 O96013 1/20 0.48
▸ ABL1 P00519 1/20 0.48
▸ NTRK1 P04629 1/20 0.48
▸ LCK P06239 1/20 0.48
▸ FYN P06241 1/20 0.48
▸ CSF1R P07333 1/20 0.48
▸ RET P07949 1/20 0.48
▸ IGF1R P08069 1/20 0.48
▸ MET P08581 1/20 0.48
▸ PDGFRB P09619 1/20 0.48

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
SCHEMBL13268247 0.92 BRD4 (0.55) BRD4ALKJAK2RETWEE1
SCHEMBL13268038 0.91 BRD4 (0.66) BRD4ALKNEK2CHEK1AURKA
SCHEMBL13268184 0.88 ALK (0.60) BRD4ALKNEK2CHEK1AURKA
SCHEMBL12854635 0.86 BRD4 (0.58) BRD4ALKNEK2AXLCHEK1
SCHEMBL3114703 0.85 BRD4 (0.54) BRD4ALKNEK2AXLCHEK1
SCHEMBL13268024 0.82 CTSC (0.59) BRD4ALKNEK2CHEK1AURKA
SCHEMBL13268042 0.82 TNK2 (0.56) BRD4ALKFLT3MAPK9CDK9
SCHEMBL13268233 0.82 BRD4 (0.51) BRD4ALKJAK2RETPDGFRB
SCHEMBL13268245 0.82 BRD4 (0.62) BRD4ALKNEK2CHEK1AURKA
SCHEMBL13268015 0.81 BRD4 (0.60) BRD4ALKEGFR

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-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 (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-20100179134-A1 PYRIMIDINEDIAMINE KINASE INHIBITORS PLK1, TK1, DTYMK BRD4 789/4885ALK 3686/4885NEK2 39/4885

“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.

Send feedback