SCHEMBL652602

SCHEMBL652602

Nc1nc2sc(-c3ccccc3)cc2c(=O)[nH]1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 10/20 0.72
ALDH1A1 P00352 8/20 0.72
KDM4E B2RXH2 6/20 0.72
SMN1; SMN2 Q16637 5/20 0.72
GAA P10253 3/20 0.72
NPC1 O15118 8/20 0.70
MAPT P10636 5/20 0.70
HTT P42858 2/20 0.61
RXFP1 Q9HBX9 1/20 0.61
OPRK1 P41145 1/20 0.61
PAX8 Q06710 1/20 0.61
LMNA P02545 3/20 0.57
HPGD P15428 1/20 0.57
ADORA2A P29274 1/20 0.55
ADORA1 P30542 1/20 0.55
KMT2A Q03164 3/20 0.53
MEN1 O00255 1/20 0.53
PKM P14618 1/20 0.52
QTRT1 Q9BXR0 1/20 0.51
PTP4A3 O75365 1/20 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
SCHEMBL18351086 0.86 RAB9A (0.59) RAB9AALDH1A1KDM4ESMN1; SMN2GAA
SCHEMBL655577 0.86 RAB9A (0.53) RAB9AALDH1A1KDM4ESMN1; SMN2GAA
SCHEMBL16652890 0.82 RAB9A (1.00) RAB9AALDH1A1KDM4ESMN1; SMN2GAA
SCHEMBL8194270 0.80 RAB9A (0.68) RAB9AALDH1A1KDM4ESMN1; SMN2GAA
SCHEMBL11478812 0.79 RAB9A (0.69) RAB9AALDH1A1KDM4ESMN1; SMN2GAA
SCHEMBL655174 0.77 ALDH1A1 (0.85) RAB9AALDH1A1KDM4ESMN1; SMN2GAA
SCHEMBL14875732 0.76 ADORA2A (0.55) ADORA2AADORA1QTRT1
SCHEMBL14875806 0.74 ADORA2A (0.50) RAB9AALDH1A1KDM4ESMN1; SMN2GAA
SCHEMBL14897946 0.74 QTRT1 (0.46) RAB9AALDH1A1KDM4ESMN1; SMN2GAA
SCHEMBL11489324 0.73 RAB9A (1.00) RAB9AALDH1A1KDM4ESMN1; SMN2GAA

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 38 patents — showing the first 20. 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
US-20160376286-A1 Pyrimidin-4-one derivatives and their use in the tratement, amelioration or prevention of a viral disease F. HOFFMAN-LA ROCHE LTD 2016-12-29 US disclosed
US-20160376286-A1 Pyrimidin-4-one derivatives and their use in the tratement, amelioration or prevention of a viral disease F. HOFFMAN-LA ROCHE LTD 2016-12-29 US disclosed
US-20160297763-A1 Heteroaryl hydroxamic acid derivatives and their use in the treatment, amelioration or prevention of a viral disease F. HOFFMANN-LA ROCHE LTD (CH) 2016-10-13 US disclosed
US-20160297763-A1 Heteroaryl hydroxamic acid derivatives and their use in the treatment, amelioration or prevention of a viral disease F. HOFFMANN-LA ROCHE LTD (CH) 2016-10-13 US disclosed
US-20160297763-A1 Heteroaryl hydroxamic acid derivatives and their use in the treatment, amelioration or prevention of a viral disease F. HOFFMANN-LA ROCHE LTD (CH) 2016-10-13 US disclosed
EP-2616077-B1 ANTI-CANCER ACTIVITY OF NOVEL BICYCLIC HETEROCYCLES UNIV LEUVEN KATH (BE) 2016-08-31 EP disclosed
EP-2794616-B1 PYRIMIDIN-4-ONE DERIVATIVES AND THEIR USE IN THE TREATMENT, AMELIORATION OR PREVENTION OF A VIRAL DISEASE HOFFMANN LA ROCHE (CH) 2016-06-29 EP disclosed
EP-2794616-B1 PYRIMIDIN-4-ONE DERIVATIVES AND THEIR USE IN THE TREATMENT, AMELIORATION OR PREVENTION OF A VIRAL DISEASE HOFFMANN LA ROCHE (CH) 2016-06-29 EP disclosed
US-20130102601-A1 Pyrimidin-4-one derivatives and their use in the treatment, amelioration or prevention of a viral disease F. HOFFMANN-LA ROCHE LTD (CH) 2013-04-25 US disclosed
WO-2013057253-A1 PYRIMIDIN-4-ONE DERIVATIVES AND THEIR USE IN THE TREATMENT, AMELIORATION OR PREVENTION OF A VIRAL DISEASE F. HOFFMANN-LA ROCHE AG (CH) 2013-04-25 WO disclosed
WO-2013057251-A2 HETEROARYL HYDROXAMIC ACID DERIVATIVES AND THEIR USE IN THE TREATMENT, AMELIORATION OR PREVENTION OF A VIRAL DISEASE F. HOFFMANN-LA ROCHE AG (CH) 2013-04-25 WO disclosed
US-20130102601-A1 Pyrimidin-4-one derivatives and their use in the treatment, amelioration or prevention of a viral disease F. HOFFMANN-LA ROCHE LTD (CH) 2013-04-25 US 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 (4 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-20130102601-A1 Pyrimidin-4-one derivatives and their use in the treatment, amelioration or prevention of a viral disease TPMT, TYMP, HPRT1 RAB9A 1558/4885ALDH1A1 609/4885KDM4E 3487/4885
US-20160376286-A1 Pyrimidin-4-one derivatives and their use in the tratement, amelioration or prevention of a viral disease TTR, TYMP, TPMT RAB9A 1881/4885ALDH1A1 464/4885KDM4E 3351/4885
US-20120046278-A1 THIAZOLOPYRIMIDINE MODULATORS AS IMMUNOSUPPRESSIVE AGENTS TPMT, STAT6, IL4 RAB9A 1604/4885ALDH1A1 517/4885KDM4E 1646/4885
US-20160297763-A1 Heteroaryl hydroxamic acid derivatives and their use in the treatment, amelioration or prevention of a viral disease ALAD, CYP27A1, FAH RAB9A 1649/4885ALDH1A1 956/4885KDM4E 3498/4885

“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.