SCHEMBL13268023

SCHEMBL13268023

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

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 19/20 0.61
▸ EGFR P00533 1/20 0.54
▸ JAK2 O60674 2/20 0.53
▸ FLT3 P36888 2/20 0.53
▸ BUB1B O60566 1/20 0.53
▸ RET P07949 1/20 0.53
▸ JAK1 P23458 1/20 0.53
▸ BRD2 P25440 1/20 0.53
▸ WEE1 P30291 1/20 0.53
▸ JAK3 P52333 1/20 0.53
▸ BRD3 Q15059 1/20 0.53
▸ BRDT Q58F21 1/20 0.53
▸ ALK Q9UM73 1/20 0.53

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 0.94 BRD4 (0.62) BRD4EGFRJAK2FLT3BUB1B
SCHEMBL13268022 0.92 BRD4 (0.61) BRD4EGFRJAK2FLT3RET
SCHEMBL13268225 0.91 JAK1 (0.60) BRD4JAK2FLT3JAK1JAK3
SCHEMBL13268185 0.88 PDGFRA (0.60) BRD4JAK2FLT3RETWEE1
SCHEMBL13268246 0.86 BRD4 (0.53) BRD4JAK2FLT3JAK1BRD2
SCHEMBL13268245 0.86 BRD4 (0.62) BRD4EGFRJAK2FLT3RET
SCHEMBL3117302 0.86 BRD4 (0.65) BRD4EGFR
SCHEMBL3122414 0.86 BRD4 (0.61) BRD4EGFRJAK2FLT3BUB1B
SCHEMBL13268233 0.85 BRD4 (0.51) BRD4JAK2FLT3BUB1BRET
SCHEMBL13268026 0.85 BRD4 (0.61) BRD4EGFRJAK2FLT3RET

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 789/4885EGFR 1983/4885JAK2 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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