SCHEMBL655598

SCHEMBL655598

Nc1nc(O)c(NC(=O)Cc2ccc(F)cc2)c(O)n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.55
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.49
GLS O94925 1/20 0.48
KMT2A Q03164 2/20 0.48
CA12 O43570 3/20 0.48
CA1 P00915 3/20 0.48
CA2 P00918 3/20 0.48
CA9 Q16790 3/20 0.48
MAPK8 P45983 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
PRKACA P17612 1/20 0.45
ROCK1 Q13464 1/20 0.45
MEN1 O00255 1/20 0.45
MAPK1 P28482 1/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
HPGD P15428 1/20 0.45
HDAC3 O15379 1/20 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
SCHEMBL654173 0.86 TSHR (0.48) GAANPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL656686 0.85 RAB9A (0.52) GAANPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL655554 0.85 NPC1 (0.59) GAANPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL654805 0.82 GAA (0.58) GAANPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL654818 0.77 MITF (0.50) NPC1RAB9AKMT2AMEN1KDM4E
SCHEMBL654399 0.77 ALDH1A1 (0.54) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL652831 0.71 P2RX7 (0.46) GAANPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL655597 0.71 TSHR (0.57) GAANPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL26333517 0.70 GAA (0.63) GAARAB9ASMN1; SMN2KMT2ACA12
SCHEMBL754150 0.70 GAA (0.63) GAARAB9ASMN1; SMN2KMT2ACA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9730944-B2 Antiviral activity of novel bicyclic heterocycles KATHOLIEKE UNIVERSITEIT LEUVEN, K.U. LEUVEN R&D (BE) 2017-08-15 US disclosed
US-9573966-B2 Anti-cancer activity of novel bicyclic heterocycles KATHOLIEKE UNIVERSITEIT LEUVEN, K.U.LEUVEN R&D (BE) 2017-02-21 US disclosed
EP-2616077-B1 ANTI-CANCER ACTIVITY OF NOVEL BICYCLIC HETEROCYCLES UNIV LEUVEN KATH (BE) 2016-08-31 EP disclosed
US-20160030447-A1 Antiviral Activity of Novel Bicyclic Heterocycles KATHOLIEKE UNIVERSITEIT LEUVEN, K.U.LEUVEN R&D (BE) 2016-02-04 US disclosed
US-9221822-B2 Thiazolopyrimidine modulators as immunosuppressive agents KATHOLIEKE UNIVERSITEIT LEUVEN, K. U. LEUVEN R&D (BE) 2015-12-29 US disclosed
US-9193741-B2 Antiviral activity of bicyclic heterocycles KATHOLIEKE UNIVERSITEIT LEUVEN, K. U. LEUVEN R&D (BE) 2015-11-24 US disclosed
EP-2923734-A1 Purine analogues and their use as immunosuppressive agents Katholieke Universiteit Leuven, K.U. Leuven R&D (BE) 2015-09-30 EP disclosed
EP-2405973-B1 THIAZOLOPYRIMIDINE MODULATORS AS IMMUNOSUPPRESSIVE AGENTS UNIV LEUVEN KATH (BE) 2015-04-22 EP disclosed
US-20150038494-A1 Thiazolopyrimidine Modulators as Immunosuppressive Agents KATHOLIEKE UNIVERSITEIT LEUVEN, K.U.LEUVEN R&D (BE) 2015-02-05 US disclosed
US-8901132-B2 Thiazolopyrimidine modulators as immunosuppressive agents KATHOLIEKE UNIVERSITEIT LEUVEN, K.U. LEUVEN R&D (BE) 2014-12-02 US disclosed
US-20140088088-A1 ANTI-CANCER ACTIVITY OF NOVEL BICYCLIC HETEROCYCLES KATHOLIEKE UNIVERSITEIT LEUVEN, K.U. LEUVEN R&D (BE) 2014-03-27 US disclosed
US-20130190297-A1 Antiviral Activity of Novel Bicyclic Heterocycles KATHOLIEKE UNIVERSITEIT LEUVEN, K.U.LEUVEN R&D (BE) 2013-07-25 US disclosed
US-20120046278-A1 THIAZOLOPYRIMIDINE MODULATORS AS IMMUNOSUPPRESSIVE AGENTS KATHOLIEKE UNIVERSITEIT LEUVEN, K.U.LEUVEN R&D (BE) 2012-02-23 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 (5 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-20150038494-A1 Thiazolopyrimidine Modulators as Immunosuppressive Agents TPMT, STAT6, IL4 GAA 3524/4885NPC1 3484/4885RAB9A 1604/4885
US-20120046278-A1 THIAZOLOPYRIMIDINE MODULATORS AS IMMUNOSUPPRESSIVE AGENTS TPMT, STAT6, IL4 GAA 3524/4885NPC1 3484/4885RAB9A 1604/4885
US-20130190297-A1 Antiviral Activity of Novel Bicyclic Heterocycles HAVCR2, RNASE1, RNASEH1 GAA 3744/4885NPC1 203/4885RAB9A 697/4885
US-20140088088-A1 ANTI-CANCER ACTIVITY OF NOVEL BICYCLIC HETEROCYCLES CCNA1, CCND3, CCND1 GAA 2385/4885NPC1 2365/4885RAB9A 686/4885
US-20160030447-A1 Antiviral Activity of Novel Bicyclic Heterocycles RNASE1, HAVCR2, RNASEH1 GAA 3626/4885NPC1 117/4885RAB9A 565/4885

“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.