SCHEMBL10199533

SCHEMBL10199533

Cc1cnc(-c2cc(C(C)C)ccn2)[nH]1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 2/20 0.36
AURKA O14965 1/20 0.36
DAPK3 O43293 1/20 0.36
JAK2 O60674 1/20 0.36
MAP4K4 O95819 1/20 0.36
PAK4 O96013 1/20 0.36
ABL1 P00519 1/20 0.36
LCK P06239 1/20 0.36
FYN P06241 1/20 0.36
CSF1R P07333 1/20 0.36
RET P07949 1/20 0.36
IGF1R P08069 1/20 0.36
FLT1 P17948 1/20 0.36
LTK P29376 1/20 0.36
KDR P35968 1/20 0.36
FLT3 P36888 1/20 0.36
MAPK9 P45984 1/20 0.36
CLK2 P49760 1/20 0.36
GSK3A P49840 1/20 0.36
GSK3B P49841 1/20 0.36

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
SCHEMBL21931613 0.77 SPR (0.43) MAPK8SMPD3KDM4ECCR1CCR5
SCHEMBL11399098 0.76 CCR1 (0.48) MAPK8AURKADAPK3JAK2MAP4K4
SCHEMBL26528888 0.73 PIM1 (0.33) MAPK8AURKADAPK3JAK2MAP4K4
SCHEMBL20132695 0.71 BRD4 (0.45) MAPK8AURKADAPK3JAK2MAP4K4
SCHEMBL16547523 0.70 NPY5R (0.59) BTKKDM4ECCR1CCR5CCR8
SCHEMBL19362627 0.70 CCR1 (0.41) MAPK8AURKADAPK3JAK2MAP4K4
SCHEMBL7679401 0.70 CCR1 (0.41) MAPK8AURKADAPK3JAK2MAP4K4
SCHEMBL23252956 0.69 CCR1 (0.42) PIM1KDM4ECCR1CCR5CCR8
SCHEMBL18809139 0.69 LMNA (0.39) MAPK8AURKADAPK3JAK2MAP4K4
SCHEMBL19374727 0.69 LMNA (0.43) MAPK8AURKADAPK3JAK2MAP4K4

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-8110687-B2 Bicyclic compounds with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-02-07 US disclosed
US-20080064729-A1 Phenethylamide derivatives with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-03-13 US disclosed
US-20070149533-A1 Bicyclic compounds with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-06-28 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-20080064729-A1 Phenethylamide derivatives with kinase inhibitory activity MAP4K5, MAP3K5, MAP4K2 MAPK8 163/4885AURKA 429/4885DAPK3 475/4885
US-20070149533-A1 Bicyclic compounds with kinase inhibitory activity MAP3K20, MAP3K1, MAP3K5 MAPK8 144/4885AURKA 169/4885DAPK3 231/4885

“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.