SCHEMBL10198690

SCHEMBL10198690

CC(C)c1cn(C2CN(C)C2)c2ncnc(N)c12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 12/20 0.47
EGFR P00533 10/20 0.45
ABL1 P00519 9/20 0.45
ABL2 P42684 7/20 0.45
LCK P06239 5/20 0.44
KDR P35968 4/20 0.44
FYN P06241 3/20 0.44
FLT3 P36888 3/20 0.44
MAP4K4 O95819 2/20 0.44
PAK4 O96013 2/20 0.44
CSF1R P07333 2/20 0.44
RET P07949 2/20 0.44
FGFR1 P11362 2/20 0.44
FLT1 P17948 2/20 0.44
CSNK1A1 P48729 2/20 0.44
LIMK1 P53667 2/20 0.44
MAP4K2 Q12851 2/20 0.44
ROCK1 Q13464 2/20 0.44
NTRK3 Q16288 2/20 0.44
NTRK2 Q16620 2/20 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
SCHEMBL6926735 0.88 SRC (0.50) SRCEGFRABL1ABL2LCK
SCHEMBL6926802 0.85 SRC (0.51) SRCEGFRABL1ABL2LCK
SCHEMBL6925160 0.85 RET (0.52) SRCEGFRABL1ABL2LCK
SCHEMBL14643787 0.83 ADK (0.52) SRCEGFRABL1ABL2LCK
SCHEMBL6927089 0.83 SRC (0.55) SRCEGFRABL1ABL2LCK
SCHEMBL24650664 0.82 MTOR (0.54) SRCEGFRABL1ABL2LCK
SCHEMBL869590 0.82 ADK (0.53) SRCEGFRABL1ABL2LCK
SCHEMBL16386305 0.81 YTHDC1 (0.41) SRCEGFR
SCHEMBL6926795 0.81 HCK (0.36) SRCEGFRABL1ABL2LCK
SCHEMBL6925128 0.77 ADORA2A (0.43) SRCEGFRABL1ABL2LCK

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-20130018038-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC 2013-01-17 US disclosed
US-20120077828-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC 2012-03-29 US disclosed
US-20120077828-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC 2012-03-29 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-20130018038-A1 CHEMICAL COMPOUNDS BRCA1, IRS1, IGF1R SRC 2497/4885EGFR 49/4885ABL1 1021/4885
US-20120077828-A1 CHEMICAL COMPOUNDS BRCA1, IRS1, IGF1R SRC 2497/4885EGFR 49/4885ABL1 1021/4885

“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.