SCHEMBL14875649

SCHEMBL14875649

Cc1ccc(-c2sc3nc(N)[nH]c(=O)c3c2C)cc1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TYMS P04818 12/20 0.47
DHFR P00374 12/20 0.47
TMIGD3 P0DMS9 1/20 0.42
ADORA1 P30542 1/20 0.42
KDM4E B2RXH2 2/20 0.41
KMT2A Q03164 1/20 0.41
XDH P47989 1/20 0.41
MAPK1 P28482 2/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
XBP1 P17861 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL14876037 0.89 TYMS (0.58) TYMSDHFRTMIGD3ADORA1LMNA
SCHEMBL14876200 0.89 TYMS (0.58) TYMSDHFRXDH
SCHEMBL14875833 0.89 DHFR (0.56) TYMSDHFRKDM4EXDHSMN1; SMN2
SCHEMBL14875871 0.88 TYMS (0.60) TYMSDHFRKDM4EKMT2AMAPK1
SCHEMBL14876169 0.87 CDKN1A (0.48) TYMSDHFRKDM4EKMT2A
SCHEMBL14882789 0.86 TYMS (0.45) TYMSDHFRTMIGD3ADORA1MAPK1
SCHEMBL18351094 0.86 MAPK1 (0.58) TMIGD3ADORA1KDM4EKMT2AMAPK1
SCHEMBL14876136 0.84 XDH (0.50) TYMSDHFRKDM4EXDHSMN1; SMN2
SCHEMBL14876265 0.82 TYMS (0.51) TYMSDHFRKDM4EMAPT
SCHEMBL14875767 0.82 DHFR (0.46) TYMSDHFRTMIGD3ADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
CN-103958475-B Heteroaryl hydroxamic acid derivatives and their use in the treatment, alleviation or prevention of viral diseases F. HOFFMANN-LA ROCHE AG (CH) 2015-11-25 CN disclosed
CN-103958521-A Pyrimidin-4-one derivatives and their use in the treatment, alleviation or prevention of viral diseases HOFFMANN LA ROCHE 2014-07-30 CN disclosed
CN-103958475-A Heteroaryl hydroxamic acid derivatives and their use in the treatment, alleviation or prevention of viral diseases HOFFMANN LA ROCHE 2014-07-30 CN 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
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
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
US-20130102600-A1 Heteroaryl hydroxamic acid 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-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-20130102600-A1 Heteroaryl hydroxamic acid 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
US-20130102600-A1 Heteroaryl hydroxamic acid 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

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 TYMS 43/4885DHFR 124/4885TMIGD3 3361/4885
US-20160376286-A1 Pyrimidin-4-one derivatives and their use in the tratement, amelioration or prevention of a viral disease TTR, TYMP, TPMT TYMS 20/4885DHFR 346/4885TMIGD3 1770/4885
US-20160297763-A1 Heteroaryl hydroxamic acid derivatives and their use in the treatment, amelioration or prevention of a viral disease ALAD, CYP27A1, FAH TYMS 1191/4885DHFR 270/4885TMIGD3 4688/4885
US-20130102600-A1 Heteroaryl hydroxamic acid derivatives and their use in the treatment, amelioration or prevention of a viral disease FAH, SLC10A1, OAT TYMS 704/4885DHFR 132/4885TMIGD3 4803/4885

“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.