SCHEMBL1551868

SCHEMBL1551868

c1nc2cnc(NC3CCC3)nc2[nH]1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAK1 Q13153 2/20 0.56
ULK1 O75385 2/20 0.50
IP6K1 Q92551 1/20 0.42
MAPK8 P45983 2/20 0.41
LMNA P02545 3/20 0.41
HTT P42858 3/20 0.41
MKNK1 Q9BUB5 1/20 0.40
MKNK2 Q9HBH9 1/20 0.40
PKM P14618 1/20 0.40
HSD17B10 Q99714 1/20 0.40
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40
ADORA3 P0DMS8 5/20 0.39
AXL P30530 1/20 0.39
FLT3 P36888 1/20 0.39
TYRO3 Q06418 1/20 0.39
MERTK Q12866 1/20 0.39
GAS6 Q14393 1/20 0.39
ULK2 Q8IYT8 1/20 0.39
HDAC3 O15379 1/20 0.38

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
SCHEMBL7662487 0.97 PAK1 (0.60) PAK1ULK1IP6K1MAPK8LMNA
SCHEMBL15264144 0.95 PAK1 (0.62) PAK1ULK1IP6K1MAPK8LMNA
SCHEMBL2789819 0.93 PAK1 (0.51) PAK1ULK1IP6K1MAPK8AXL
SCHEMBL6797414 0.88 PAK1 (0.47) PAK1ULK1MAPK8MKNK1AXL
SCHEMBL7068425 0.86 PAK1 (0.46) PAK1ULK1MAPK8MKNK2FLT3
SCHEMBL6796018 0.81 PAK1 (0.38) PAK1ULK1IP6K1ULK2
SCHEMBL16145855 0.81 PAK1 (0.38) PAK1ULK1
SCHEMBL6796913 0.81 PAK1 (0.38) PAK1ULK1IP6K1ULK2
SCHEMBL30523392 0.76 PAK1 (0.91) PAK1ULK1MAPK8LMNAHTT
SCHEMBL15545184 0.73 PAK1 (0.97) PAK1ULK1LMNAHTTPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2313422-B1 NUCLEOSIDE CYCLICPHOSPHATES GILEAD PHARMASSET LLC (US) 2015-03-04 EP disclosed
US-8759510-B2 Nucleoside cyclicphosphates GILEAD PHARMASSET LLC (US) 2014-06-24 US disclosed
US-20120258928-A1 NUCLEOSIDE CYCLICPHOSPHATES GILEAD PHARMASSET LLC (US) 2012-10-11 US disclosed
US-8173621-B2 Nucleoside cyclicphosphates GILEAD PHARMASSET LLC (US) 2012-05-08 US disclosed
CN-102119167-A nucleoside cyclic phosphates PHARMASSET INC 2011-07-06 CN disclosed
EP-2313422-A2 NUCLEOSIDE CYCLICPHOSPHATES Pharmasset, Inc. (US) 2011-04-27 EP disclosed
US-20100081628-A1 NUCLEOSIDE CYCLICPHOSPHATES PHARMASSET, INC. (US) 2010-04-01 US disclosed
WO-2009152095-A2 NUCLEOSIDE CYCLICPHOSPHATES PHARMASSET, INC. (US) 2009-12-17 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-20120258928-A1 NUCLEOSIDE CYCLICPHOSPHATES PNP, NUDT1, TYMP PAK1 1694/4885ULK1 3228/4885IP6K1 248/4885
US-20100081628-A1 NUCLEOSIDE CYCLICPHOSPHATES PNP, NUDT1, TYMP PAK1 1694/4885ULK1 3228/4885IP6K1 248/4885

“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.