SCHEMBL655174

SCHEMBL655174

O=c1[nH]c(-c2ccccc2)nc2sc(-c3ccc(F)cc3)cc12

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.85
RAB9A P51151 5/20 0.85
SMN1; SMN2 Q16637 5/20 0.85
KDM4E B2RXH2 4/20 0.85
GAA P10253 2/20 0.85
RXFP1 Q9HBX9 1/20 0.68
NPC1 O15118 3/20 0.65
MAPT P10636 2/20 0.65
HTT P42858 2/20 0.65
OPRK1 P41145 1/20 0.65
PAX8 Q06710 1/20 0.65
TNKS O95271 7/20 0.59
TNKS2 Q9H2K2 7/20 0.59
PARP2 Q9UGN5 4/20 0.59
HPGD P15428 3/20 0.51
LMNA P02545 2/20 0.51
PARP1 P09874 3/20 0.51
BLM P54132 1/20 0.49
PLEC Q15149 1/20 0.49
MEN1 O00255 2/20 0.49

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
SCHEMBL654538 0.80 ALDH1A1 (0.75) ALDH1A1RAB9ASMN1; SMN2KDM4EGAA
SCHEMBL655577 0.80 RAB9A (0.53) ALDH1A1RAB9ASMN1; SMN2KDM4EGAA
SCHEMBL16766185 0.77 ALDH1A1 (0.72) ALDH1A1RAB9ASMN1; SMN2KDM4EGAA
SCHEMBL16652890 0.77 RAB9A (1.00) ALDH1A1RAB9ASMN1; SMN2KDM4EGAA
SCHEMBL652602 0.77 RAB9A (0.72) ALDH1A1RAB9ASMN1; SMN2KDM4EGAA
SCHEMBL8618982 0.75 TNKS (1.00) ALDH1A1RAB9AKDM4ENPC1MAPT
SCHEMBL8194270 0.75 RAB9A (0.68) ALDH1A1RAB9ASMN1; SMN2KDM4EGAA
SCHEMBL11478812 0.74 RAB9A (0.69) ALDH1A1RAB9ASMN1; SMN2KDM4EGAA
SCHEMBL259245 0.74 TNKS (0.71) ALDH1A1RAB9ANPC1MAPTTNKS
SCHEMBL28135157 0.72 TNKS (0.73) ALDH1A1RAB9ANPC1MAPTTNKS

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 12 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
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 ALDH1A1 517/4885RAB9A 1604/4885SMN1; SMN2 4474/4885
US-20120046278-A1 THIAZOLOPYRIMIDINE MODULATORS AS IMMUNOSUPPRESSIVE AGENTS TPMT, STAT6, IL4 ALDH1A1 517/4885RAB9A 1604/4885SMN1; SMN2 4474/4885
US-20130190297-A1 Antiviral Activity of Novel Bicyclic Heterocycles HAVCR2, RNASE1, RNASEH1 ALDH1A1 548/4885RAB9A 697/4885SMN1; SMN2 662/4885
US-20140088088-A1 ANTI-CANCER ACTIVITY OF NOVEL BICYCLIC HETEROCYCLES CCNA1, CCND3, CCND1 ALDH1A1 441/4885RAB9A 686/4885SMN1; SMN2 2484/4885
US-20160030447-A1 Antiviral Activity of Novel Bicyclic Heterocycles RNASE1, HAVCR2, RNASEH1 ALDH1A1 682/4885RAB9A 565/4885SMN1; SMN2 160/4885

“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.