SCHEMBL6928045

SCHEMBL6928045

CC(C)c1cn(CCC2CCNCC2)c2ncnc(N)c12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 7/20 0.46
PRKD3 O94806 2/20 0.41
PRKD1 Q15139 2/20 0.41
PRKD2 Q9BZL6 2/20 0.41
ABL1 P00519 5/20 0.41
PRMT5 O14744 1/20 0.40
METTL3 Q86U44 1/20 0.40
BTK Q06187 2/20 0.40
LCK P06239 3/20 0.39
CSK P41240 1/20 0.39
EGFR P00533 3/20 0.38
HSP90AA1 P07900 1/20 0.38
HSP90AB1 P08238 1/20 0.38
TEK Q02763 1/20 0.37
PIK3CD O00329 2/20 0.37
HCK P08631 2/20 0.37
KDR P35968 2/20 0.37
PIK3CA P42336 2/20 0.37
PIK3CB P42338 2/20 0.37
MTOR P42345 2/20 0.37

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
SCHEMBL10267988 0.85 SRC (0.46) SRCPRKD3PRKD1PRKD2ABL1
SCHEMBL6927833 0.83 SRC (0.47) SRCPRKD3PRKD1PRKD2ABL1
SCHEMBL6927089 0.77 SRC (0.55) SRCABL1LCKEGFRTEK
SCHEMBL10198695 0.76 SRC (0.49) SRCPRKD3PRKD2ABL1LCK
SCHEMBL20810624 0.75 ADORA2A (0.47) SRCPRKD3PRKD2ABL1LCK
SCHEMBL10198694 0.74 SRC (0.42) SRCPRKD3PRKD2ABL1LCK
SCHEMBL3516432 0.73 ADORA2A (0.56) PI4KB
SCHEMBL6927366 0.73 FLT3 (0.45) SRCMETTL3LCKTEKPIK3CD
SCHEMBL6926802 0.72 SRC (0.51) SRCABL1LCKEGFRTEK
SCHEMBL6927086 0.71 SRC (0.42) SRCPRKD3PRKD2ABL1LCK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2549868-B1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2015-01-07 EP disclosed
US-20130018038-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC 2013-01-17 US disclosed
US-20120077828-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC 2012-03-29 US disclosed
WO-2011119663-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2011-09-29 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 (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 2497/4885PRKD3 617/4885PRKD1 402/4885
US-20120077828-A1 CHEMICAL COMPOUNDS BRCA1, IRS1, IGF1R SRC 2497/4885PRKD3 617/4885PRKD1 402/4885

“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.