SCHEMBL18080368

SCHEMBL18080368

CC(C)n1cc(-c2cn(C)nn2)c(N)nc1=O

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 5/20 0.34
JAK2 O60674 3/20 0.32
JAK1 P23458 3/20 0.32
TYK2 P29597 3/20 0.32
JAK3 P52333 3/20 0.32
LRRK2 Q5S007 1/20 0.32
PIK3CD O00329 1/20 0.31
PIK3CB P42338 1/20 0.31
MTOR P42345 1/20 0.31
PIK3CG P48736 1/20 0.31
IDH1 O75874 1/20 0.31
ATR Q13535 1/20 0.31
IRAK4 Q9NWZ3 1/20 0.31

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
SCHEMBL18080362 0.86 LRRK2 (0.41) LRRK2
SCHEMBL18080375 0.82 RET (0.41) ATRIRAK4
SCHEMBL16631905 0.82 BRD4 (0.35) BRD4PIK3CDPIK3CBMTORPIK3CG
SCHEMBL18080379 0.79 ATM (0.44) ATRIRAK4
SCHEMBL18080358 0.76 CYP19A1 (0.48) JAK2JAK3
SCHEMBL18080365 0.76
SCHEMBL16631898 0.74 LRRK2 (0.46) LRRK2
SCHEMBL18080371 0.74 MAOA (0.34) BRD4
SCHEMBL18080355 0.72 MET (0.43) BRD4IDH1
SCHEMBL12206794 0.70 ADORA2A (0.36)

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-20160264614-A1 POLYNUCLEOTIDE MOLECULES AND USES THEREOF MODERNA THERAPEUTICS, INC. (US) 2016-09-15 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-20160264614-A1 POLYNUCLEOTIDE MOLECULES AND USES THEREOF POLRMT, POLN, NSUN3 BRD4 4438/4885JAK2 1016/4885JAK1 2399/4885

“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.