SCHEMBL5864698

SCHEMBL5864698

CCOC(=O)c1cc(Cc2ccccc2)sc1N

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.68
MAPK1 P28482 1/20 0.68
MAPT P10636 9/20 0.64
ALDH1A1 P00352 8/20 0.64
HSD17B10 Q99714 4/20 0.64
SMN1; SMN2 Q16637 4/20 0.64
HPGD P15428 4/20 0.64
ALOX15 P16050 3/20 0.64
RAB9A P51151 3/20 0.64
NPSR1 Q6W5P4 2/20 0.55
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
LMNA P02545 3/20 0.53
NPC1 O15118 2/20 0.53
TSHR P16473 2/20 0.49
PDE3B Q13370 1/20 0.47
PDE3A Q14432 1/20 0.47
GRM6 O15303 2/20 0.47
KDM4E B2RXH2 2/20 0.47
TDP1 Q9NUW8 1/20 0.47

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
SCHEMBL8143273 0.94 GAA (0.60) GAAMAPK1MAPTALDH1A1HSD17B10
SCHEMBL3113232 0.88 GAA (0.66) GAAMAPK1MAPTALDH1A1HSD17B10
SCHEMBL1564819 0.86 MAPT (0.59) GAAMAPK1MAPTALDH1A1HSD17B10
SCHEMBL5864713 0.86 GAA (0.63) GAAMAPK1MAPTALDH1A1HSD17B10
SCHEMBL5422196 0.83 ALOX15 (0.51) GAAMAPK1MAPTALDH1A1HSD17B10
SCHEMBL5865211 0.81 ALOX15 (0.56) GAAMAPTALDH1A1HSD17B10SMN1; SMN2
SCHEMBL1973680 0.81 GAA (1.00) GAAMAPK1MAPTALDH1A1HSD17B10
SCHEMBL23827481 0.81 GAA (0.56) GAAMAPK1MAPTALDH1A1HSD17B10
SCHEMBL1973534 0.81 GAA (0.56) GAAMAPK1MAPTALDH1A1HSD17B10
SCHEMBL5864678 0.80 GAA (0.59) GAAMAPK1MAPTALDH1A1HSD17B10

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-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
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-A1 PYRIMIDIN-4-ONE DERIVATIVES AND THEIR USE IN THE TREATMENT, AMELIORATION OR PREVENTION OF A VIRAL DISEASE F.HOFFMANN-LA ROCHE AG (CH) 2014-10-29 EP disclosed
EP-2776396-A2 HETEROARYL HYDROXAMIC ACID DERIVATIVES AND THEIR USE IN THE TREATMENT, AMELIORATION OR PREVENTION OF A VIRAL DISEASE F.HOFFMANN-LA ROCHE AG (CH) 2014-09-17 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-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
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
US-6984644-B2 Treatment of skin disorders using thieno[2,3-D]pyrimidinediones ASTRAZENECA AB (SE) 2006-01-10 US disclosed
US-20030191142-A1 Thieno[2,3-d]pyrimidinediones, their preparation and use in therapy ASTRAZENECA AB 2003-10-09 US disclosed
US-20020183337-A1 For use in immunosuppression; for reducing the risk of, a reversible obstructive airways disease ASTRAZENECA AB. 2002-12-05 US disclosed
US-6469014-B1 IMMUNOSUPPRESSIVE ACTIVITY ASTRAZENECA AB (SE) 2002-10-22 US disclosed
EP-0991653-B1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2002-10-16 EP disclosed
US-6342502-B1 ANTIASTHMATICS ASTRAZENECA AB (GB) 2002-01-29 US disclosed
US-6180635-B1 NOVEL THIENO(2,3-D)PYRIMIDINEDIONES WHICH EXHIBIT PHARMACOLOGICAL ACTIVITY, IN PARTICULAR IMMUNOSUPPRESSIVE ACTIVITY; TREATING ALLOGRAFT REJECTION ASTRAZENECA UK LIMITED (GB) 2001-01-30 US disclosed
EP-0991653-A1 NOVEL COMPOUNDS Astra Pharmaceuticals Limited (GB) 2000-04-12 EP disclosed
WO-1998054190-A1 NOVEL COMPOUNDS ASTRA PHARMACEUTICALS LTD. (GB) 1998-12-03 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 (6 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 GAA 310/4885MAPK1 1721/4885MAPT 14/4885
US-20160376286-A1 Pyrimidin-4-one derivatives and their use in the tratement, amelioration or prevention of a viral disease TTR, TYMP, TPMT GAA 188/4885MAPK1 2142/4885MAPT 28/4885
US-20020183337-A1 For use in immunosuppression; for reducing the risk of, a reversible obstructive airways disease TPMT, TSLP, TYMP GAA 2829/4885MAPK1 4538/4885MAPT 3176/4885
US-20160297763-A1 Heteroaryl hydroxamic acid derivatives and their use in the treatment, amelioration or prevention of a viral disease ALAD, CYP27A1, FAH GAA 42/4885MAPK1 2916/4885MAPT 79/4885
US-20030191142-A1 Thieno[2,3-d]pyrimidinediones, their preparation and use in therapy TYMP, DPYD, TYMS GAA 2121/4885MAPK1 4119/4885MAPT 2731/4885
US-20130102600-A1 Heteroaryl hydroxamic acid derivatives and their use in the treatment, amelioration or prevention of a viral disease FAH, SLC10A1, OAT GAA 34/4885MAPK1 3498/4885MAPT 54/4885

“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.