SCHEMBL1551871

SCHEMBL1551871

c1ncc2[nH]c(NC3CCC3)nc2n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 3/20 0.42
PAK1 Q13153 2/20 0.40
METAP2 P50579 1/20 0.38
METAP1 P53582 1/20 0.38
HPGDS O60760 1/20 0.37
CDC7 O00311 5/20 0.37
DBF4 Q9UBU7 5/20 0.37
PIM1 P11309 2/20 0.36
MAPK1 P28482 2/20 0.36
DYRK3 O43781 1/20 0.36
ROCK2 O75116 1/20 0.36
MAP4K4 O95819 1/20 0.36
CDK1 P06493 1/20 0.36
CSF1R P07333 1/20 0.36
PRKACA P17612 1/20 0.36
CDK2 P24941 1/20 0.36
MARK3 P27448 1/20 0.36
CSNK1A1 P48729 1/20 0.36
CSNK1D P48730 1/20 0.36
CLK2 P49760 1/20 0.36

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
SCHEMBL15264146 0.95 RIPK1 (0.47) RIPK1PAK1METAP2METAP1HPGDS
SCHEMBL2789821 0.94 METAP2 (0.40) RIPK1PAK1METAP2METAP1HPGDS
SCHEMBL16145856 0.83 LATS1 (0.36) METAP2METAP1PIM1KDM4EALDH1A1
SCHEMBL16145858 0.75 RIPK1 (0.44) RIPK1PAK1HPGDSCDC7DBF4
SCHEMBL7662481 0.74 RIPK1 (0.46) RIPK1PAK1HPGDSCDC7DBF4
SCHEMBL5072700 0.74 METAP2 (0.44) METAP2METAP1CSNK2A1EGFR
SCHEMBL3421963 0.74 METAP2 (0.44) METAP2METAP1
SCHEMBL9356684 0.74 METAP2 (0.44) METAP2METAP1
SCHEMBL5828208 0.74 METAP2 (0.44) METAP2METAP1LMNAKDM4EALDH1A1
SCHEMBL3426596 0.73 METAP2 (0.41) METAP2METAP1

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 RIPK1 3072/4885PAK1 1694/4885METAP2 844/4885
US-20100081628-A1 NUCLEOSIDE CYCLICPHOSPHATES PNP, NUDT1, TYMP RIPK1 3072/4885PAK1 1694/4885METAP2 844/4885

“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.