SCHEMBL12397282

SCHEMBL12397282

CCc1nc(C(C)(C)C)c2cc[nH]c2n1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 2/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
JAK2 O60674 2/20 0.32
JAK3 P52333 2/20 0.32
JAK1 P23458 1/20 0.32
TYK2 P29597 1/20 0.32
CHEK1 O14757 1/20 0.32
AURKA O14965 1/20 0.32
DAPK3 O43293 1/20 0.32
MAP4K4 O95819 1/20 0.32
PAK4 O96013 1/20 0.32
RET P07949 1/20 0.32
LTK P29376 1/20 0.32
KDR P35968 1/20 0.32
MAP2K2 P36507 1/20 0.32
MAPK8 P45983 1/20 0.32
MAPK9 P45984 1/20 0.32
CSNK1A1 P48729 1/20 0.32
CLK2 P49760 1/20 0.32

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
SCHEMBL16478434 0.77 ADORA2A (0.40) DYRK1AADORA2AADORA1JAK2JAK3
SCHEMBL12113604 0.77 JAK2 (0.44) DYRK1AADORA2AADORA1JAK2JAK3
SCHEMBL10139178 0.77 ADORA2A (0.36) DYRK1AADORA2AADORA1JAK2JAK3
SCHEMBL23889254 0.77 ADORA2A (0.40) DYRK1AADORA2AADORA1JAK2JAK3
SCHEMBL15557725 0.76 PRKCI (0.39) DYRK1AADORA2AADORA1JAK2JAK3
SCHEMBL30914296 0.76 DYRK1A (0.42) DYRK1AADORA2AADORA1JAK2JAK3
SCHEMBL24174684 0.75 JAK2 (0.37) DYRK1AADORA2AADORA1JAK2JAK3
SCHEMBL24175511 0.73 DYRK1A (0.33) DYRK1AADORA2AADORA1AXLPRKCI
SCHEMBL24995667 0.73 ADORA2A (0.37) DYRK1AADORA2AADORA1JAK2JAK3
SCHEMBL12396387 0.73 ADORA2A (0.34) ADORA2AADORA1

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-20110207736-A1 COMPOUNDS THAT MODULATE EGFR ACTIVITY AND METHODS FOR TREATING OR PREVENTING CONDITIONS THEREWITH Gatekeeper Pharmaceuticals, Inc. 2011-08-25 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-20110207736-A1 COMPOUNDS THAT MODULATE EGFR ACTIVITY AND METHODS FOR TREATING OR PREVENTING CONDITIONS THEREWITH EGFR, ERBB2, BRCA1 DYRK1A 2163/4885ADORA2A 2554/4885ADORA1 3516/4885

“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.