SCHEMBL3496551

SCHEMBL3496551

CN1CCN(c2ccc(Nc3ncc(Cl)c(NC4CC(C)(C)N(C)C(C)(C)C4)n3)cc2C#N)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAK1 Q13153 7/20 0.57
TNK2 Q07912 2/20 0.49
EGFR P00533 2/20 0.47
ALK Q9UM73 2/20 0.46
BRD4 O60885 7/20 0.46
SLC2A1 P11166 1/20 0.45
TNIK Q9UKE5 1/20 0.45
CHEK1 O14757 1/20 0.45
AURKA O14965 1/20 0.45
DAPK3 O43293 1/20 0.45
JAK2 O60674 1/20 0.45
PRKD3 O94806 1/20 0.45
MAP4K4 O95819 1/20 0.45
PAK4 O96013 1/20 0.45
ABL1 P00519 1/20 0.45
NTRK1 P04629 1/20 0.45
LCK P06239 1/20 0.45
FYN P06241 1/20 0.45
CSF1R P07333 1/20 0.45
RET P07949 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
SCHEMBL1743517 0.92 PAK1 (0.49) PAK1TNK2EGFRBRD4SLC2A1
SCHEMBL3496816 0.91 TNK2 (0.51) TNK2EGFRALKBRD4CHEK1
SCHEMBL3496877 0.90 JAK2 (0.48) PAK1TNK2ALKBRD4AURKA
SCHEMBL3497842 0.90 KDR (0.50) PAK1TNK2EGFRALKBRD4
SCHEMBL3495099 0.89 JAK2 (0.45) PAK1ALKBRD4AURKAJAK2
SCHEMBL3496178 0.88 PAK1 (0.45) PAK1TNK2ALKJAK2WEE1
SCHEMBL3496128 0.88 CHEK1 (0.48) PAK1EGFRBRD4CHEK1FLT3
SCHEMBL3495670 0.87 JAK1 (0.44) PAK1TNK2ALKAURKAJAK2
SCHEMBL3493784 0.87 JAK2 (0.45) PAK1EGFRALKAURKAJAK2
SCHEMBL3497098 0.86 PRKCQ (0.46) PAK1EGFRALKAURKAJAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100130486-A1 CYCLIC AMINE SUBSTITUTED PYRIMIDINEDIAMINES AS PKC INHIBITORS RIGEL PHARMACEUTICALS, INC. 2010-05-27 US claimed
EP-2183225-A1 CYCLIC AMINE SUBSTITUTED PYRIMIDINEDIAMINES AS PKC INHIBITORS Rigel Pharmaceuticals, Inc. (US) 2010-05-12 EP claimed
WO-2009012421-A1 CYCLIC AMINE SUBSTITUTED PYRIMIDINEDIAMINES AS PKC INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2009-01-22 WO claimed
US-8993585-B2 Cyclic amine substituted pyrimidinediamines as PKC inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2015-03-31 US disclosed
US-20100130486-A1 CYCLIC AMINE SUBSTITUTED PYRIMIDINEDIAMINES AS PKC INHIBITORS RIGEL PHARMACEUTICALS, INC. 2010-05-27 US disclosed
EP-2183225-A1 CYCLIC AMINE SUBSTITUTED PYRIMIDINEDIAMINES AS PKC INHIBITORS Rigel Pharmaceuticals, Inc. (US) 2010-05-12 EP disclosed
WO-2009012421-A1 CYCLIC AMINE SUBSTITUTED PYRIMIDINEDIAMINES AS PKC INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2009-01-22 WO 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-20100130486-A1 CYCLIC AMINE SUBSTITUTED PYRIMIDINEDIAMINES AS PKC INHIBITORS PRKCH, PKD2, PRKCQ PAK1 105/4885TNK2 45/4885EGFR 1181/4885

“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.