SCHEMBL14875630

SCHEMBL14875630

Cc1c(-c2ccccc2)sc2nc(Nc3ccccc3)[nH]c(=O)c12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 2/20 0.50
▸ ADORA2A P29274 1/20 0.50
▸ SMN1; SMN2 Q16637 4/20 0.47
▸ ALDH1A1 P00352 4/20 0.47
▸ KDM4E B2RXH2 4/20 0.47
▸ HPGD P15428 1/20 0.47
▸ MAPT P10636 6/20 0.44
▸ HTT P42858 3/20 0.44
▸ LMNA P02545 3/20 0.44
▸ NPSR1 Q6W5P4 2/20 0.44
▸ XBP1 P17861 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ MEN1 O00255 4/20 0.44
▸ KMT2A Q03164 4/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ GAA P10253 2/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ TP53 P04637 1/20 0.44
▸ NFKB1 P19838 1/20 0.44
▸ NFKB2 Q00653 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
SCHEMBL18351087 0.82 ALDH1A1 (0.52) ADORA3ADORA2ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL3492121 0.81 ADORA3 (0.55) ADORA3ADORA2AALDH1A1KDM4EHPGD
SCHEMBL14875716 0.81 GAA (0.51) ADORA3ADORA2ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL14875851 0.81 GAA (0.67) ADORA3ADORA2ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL18351092 0.80 GAA (0.50) ADORA3ADORA2ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL14875750 0.79 CDC7 (0.51) ADORA3ADORA2ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL14875692 0.79 GAA (0.49) ADORA3ADORA2ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL14876370 0.79 GAA (0.58) ADORA3ADORA2ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL14875833 0.79 DHFR (0.56) SMN1; SMN2ALDH1A1KDM4EHPGDHTT
SCHEMBL14875747 0.77 ALDH1A1 (0.52) SMN1; SMN2ALDH1A1KDM4EHPGDMAPT

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 16 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-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-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
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 ADORA3 1054/4885ADORA2A 1735/4885SMN1; SMN2 878/4885
US-20160376286-A1 Pyrimidin-4-one derivatives and their use in the tratement, amelioration or prevention of a viral disease TTR, TYMP, TPMT ADORA3 756/4885ADORA2A 1173/4885SMN1; SMN2 458/4885
US-20160297763-A1 Heteroaryl hydroxamic acid derivatives and their use in the treatment, amelioration or prevention of a viral disease ALAD, CYP27A1, FAH ADORA3 1127/4885ADORA2A 2395/4885SMN1; SMN2 2550/4885
US-20130102600-A1 Heteroaryl hydroxamic acid derivatives and their use in the treatment, amelioration or prevention of a viral disease FAH, SLC10A1, OAT ADORA3 1116/4885ADORA2A 1736/4885SMN1; SMN2 1282/4885

“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.

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