SCHEMBL13268241

SCHEMBL13268241

C=C1Oc2ccc(Nc3nc(Nc4ccc(N5CCN(CC)CC5)cc4)ncc3C)nc2N(C)C1=O

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ WEE1 P30291 3/20 0.53
▸ ALK Q9UM73 2/20 0.53
▸ PDGFRB P09619 1/20 0.53
▸ PDGFRA P16234 1/20 0.53
▸ CCNA2 P20248 2/20 0.51
▸ CDK2 P24941 2/20 0.51
▸ CCNK O75909 1/20 0.51
▸ CCND3 P30281 1/20 0.51
▸ CDK9 P50750 1/20 0.51
▸ CDK6 Q00534 1/20 0.51
▸ BRD4 O60885 13/20 0.49
▸ JAK2 O60674 1/20 0.46
▸ FLT3 P36888 1/20 0.46
▸ IGF1R P08069 1/20 0.44

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 0.92 BRD4 (0.58) WEE1ALKBRD4JAK2FLT3
SCHEMBL12854448 0.86 PDGFRA (0.55) WEE1ALKPDGFRBPDGFRACCNA2
SCHEMBL13268039 0.86 PDGFRA (0.60) WEE1ALKPDGFRBPDGFRACCNA2
SCHEMBL13268121 0.86 PDGFRA (0.55) WEE1ALKPDGFRBPDGFRACCNA2
SCHEMBL12854449 0.85 PDGFRB (0.52) WEE1ALKPDGFRBPDGFRACCNA2
SCHEMBL13268185 0.83 PDGFRA (0.60) WEE1ALKPDGFRBPDGFRACCNA2
SCHEMBL13268177 0.82 JAK1 (0.57) WEE1BRD4JAK2FLT3
SCHEMBL13268016 0.82 BRD4 (0.51) ALKPDGFRBPDGFRACDK2BRD4
SCHEMBL3109692 0.81 PDGFRA (0.53) WEE1ALKPDGFRBPDGFRACCNA2
SCHEMBL13268232 0.78 BRD4 (0.62) WEE1ALKBRD4JAK2FLT3

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 WEE1 342/4885ALK 3241/4885PDGFRB 1086/4885
US-20100179134-A1 PYRIMIDINEDIAMINE KINASE INHIBITORS PLK1, TK1, DTYMK WEE1 236/4885ALK 3686/4885PDGFRB 1315/4885

“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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