SCHEMBL12694656

SCHEMBL12694656

CN1CCN(c2ccc(Nc3ncc(Cl)c(Nc4ccc5c(c4)N(C)CC(C)(C)O5)n3)cn2)CC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSC P53634 3/20 0.61
▸ BRD4 O60885 12/20 0.56
▸ ALK Q9UM73 2/20 0.51
▸ JAK2 O60674 2/20 0.49
▸ JAK3 P52333 2/20 0.49
▸ EGFR P00533 2/20 0.49
▸ CHEK1 O14757 1/20 0.49
▸ AURKA O14965 1/20 0.49
▸ DAPK3 O43293 1/20 0.49
▸ PRKD3 O94806 1/20 0.49
▸ MAP4K4 O95819 1/20 0.49
▸ PAK4 O96013 1/20 0.49
▸ ABL1 P00519 1/20 0.49
▸ NTRK1 P04629 1/20 0.49
▸ LCK P06239 1/20 0.49
▸ FYN P06241 1/20 0.49
▸ CSF1R P07333 1/20 0.49
▸ RET P07949 1/20 0.49
▸ IGF1R P08069 1/20 0.49
▸ MET P08581 1/20 0.49

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
SCHEMBL12694698 0.88 BRD4 (0.53) BRD4ALKJAK2JAK3EGFR
SCHEMBL12854649 0.86 CTSC (0.58) CTSCBRD4ALKJAK2JAK3
SCHEMBL3122460 0.83 CTSC (0.55) CTSCBRD4ALKJAK2JAK3
SCHEMBL3108564 0.83 CTSC (0.57) CTSCBRD4ALKJAK2JAK3
SCHEMBL3109342 0.82 CTSC (0.56) CTSCBRD4ALKJAK2JAK3
SCHEMBL12694807 0.82 BRD4 (0.63) CTSCBRD4ALKJAK2JAK3
Formic Acid SCHEMBL14482459 0.80 CTSC (0.52) CTSCBRD4ALKJAK2JAK3
Formic Acid SCHEMBL14482025 0.80 CTSC (0.54) CTSCBRD4ALKJAK2JAK3
SCHEMBL13268024 0.80 CTSC (0.59) CTSCBRD4ALKJAK2JAK3
SCHEMBL12694730 0.79 CTSC (0.59) CTSCBRD4ALKJAK2JAK3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8518937-B2 Pyrimidinediamine kinase inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2013-08-27 — — US disclosed
US-20130012501-A1 PYRIMIDINEDIAMINE KINASE INHIBITORS RIGEL PHARMACEUTICALS, INC. 2013-01-10 — — US disclosed
US-8278299-B2 Pyrimidinediamine kinase inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2012-10-02 — — 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-20130012501-A1 PYRIMIDINEDIAMINE KINASE INHIBITORS PLK1, TK1, DTYMK CTSC 2302/4885BRD4 758/4885ALK 3241/4885

“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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