SCHEMBL657901

SCHEMBL657901

C=CCN1CCN(c2nc(N)nc3oc(CCc4ccc(F)cc4)nc23)CC1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 7/20 0.37
MAPT P10636 2/20 0.35
HTR6 P50406 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CASP1 P29466 1/20 0.35
CYP2C19 P33261 1/20 0.35
CASP7 P55210 1/20 0.35
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
TLR9 Q9NR96 1/20 0.33
TLR7 Q9NYK1 1/20 0.33
TP53 P04637 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
DHFR P00374 1/20 0.33
RPS6KB1 P23443 1/20 0.32

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
SCHEMBL658485 0.83 ME2 (0.39) HTR6
SCHEMBL655118 0.83 HRH4 (0.47) HRH4HTR6ESR1ESR2HRH3
SCHEMBL655138 0.80 LTA4H (0.42) MAPTTP53
SCHEMBL654714 0.76 MEN1 (0.53) MAPTTP53
SCHEMBL653651 0.76 HSP90AA1 (0.47)
SCHEMBL654035 0.76 MEN1 (0.44) CYP1A2CYP2C9CYP2C19
SCHEMBL654810 0.73 PI4KB (0.57) MAPTCYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL794927 0.72 MEN1 (0.48) MAPTCYP2C9CYP2C19TP53
SCHEMBL655534 0.72 PI4KB (0.57) MAPTCYP3A4
SCHEMBL655059 0.71 DHFR (0.42) MAPTHTR6CYP1A2CYP3A4CYP2D6

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 18 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
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
EP-2616077-A1 ANTI-CANCER ACTIVITY OF NOVEL BICYCLIC HETEROCYCLES Katholieke Universiteit Leuven, K.U. Leuven R&D (BE) 2013-07-24 EP disclosed
EP-2575969-A1 ANTIVIRAL ACTIVITY OF NOVEL BICYCLIC HETEROCYCLES Katholieke Universiteit Leuven, K.U. Leuven R&D (BE) 2013-04-10 EP disclosed
WO-2012035423-A1 ANTI-CANCER ACTIVITY OF NOVEL BICYCLIC HETEROCYCLES KATHOLIEKE UNIVERSITEIT LEUVEN, K.U. LEUVEN R&D (BE) 2012-03-22 WO disclosed
US-20120046278-A1 THIAZOLOPYRIMIDINE MODULATORS AS IMMUNOSUPPRESSIVE AGENTS KATHOLIEKE UNIVERSITEIT LEUVEN, K.U.LEUVEN R&D (BE) 2012-02-23 US disclosed
EP-2405973-A2 THIAZOLOPYRIMIDINE MODULATORS AS IMMUNOSUPPRESSIVE AGENTS Katholieke Universiteit Leuven, K.U. Leuven R&D (BE) 2012-01-18 EP disclosed
WO-2011147753-A1 ANTIVIRAL ACTIVITY OF NOVEL BICYCLIC HETEROCYCLES KATHOLIEKE UNIVERSITEIT LEUVEN, K.U.LEUVEN R&D (BE) 2011-12-01 WO disclosed
WO-2010103130-A2 NOVEL BICYCLIC HETEROCYCLES KATHOLIEKE UNIVERSITEIT LEUVEN, K.U.LEUVEN R&D (BE) 2010-09-16 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 (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 HRH4 113/4885MAPT 3520/4885HTR6 1539/4885
US-20120046278-A1 THIAZOLOPYRIMIDINE MODULATORS AS IMMUNOSUPPRESSIVE AGENTS TPMT, STAT6, IL4 HRH4 113/4885MAPT 3520/4885HTR6 1539/4885
US-20130190297-A1 Antiviral Activity of Novel Bicyclic Heterocycles HAVCR2, RNASE1, RNASEH1 HRH4 178/4885MAPT 4213/4885HTR6 2195/4885
US-20140088088-A1 ANTI-CANCER ACTIVITY OF NOVEL BICYCLIC HETEROCYCLES CCNA1, CCND3, CCND1 HRH4 166/4885MAPT 4850/4885HTR6 3608/4885
US-20160030447-A1 Antiviral Activity of Novel Bicyclic Heterocycles RNASE1, HAVCR2, RNASEH1 HRH4 82/4885MAPT 3556/4885HTR6 2728/4885

“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.