SCHEMBL18351087

SCHEMBL18351087

CCCNc1nc2sc(-c3ccccc3)c(C)c2c(=O)[nH]1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.52
▸ KDM4E B2RXH2 4/20 0.52
▸ GAA P10253 1/20 0.52
▸ ADORA3 P0DMS8 2/20 0.47
▸ ADORA2A P29274 1/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ HPGD P15428 1/20 0.44
▸ RXFP1 Q9HBX9 1/20 0.42
▸ KMT2A Q03164 3/20 0.40
▸ HTT P42858 2/20 0.39
▸ ATM Q13315 1/20 0.39
▸ LIMK1 P53667 1/20 0.39
▸ LMNA P02545 4/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ MAPT P10636 1/20 0.39
▸ AHR P35869 1/20 0.39
▸ POLB P06746 1/20 0.38
▸ TSHR P16473 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL18351092 0.93 GAA (0.50) ALDH1A1KDM4EGAAADORA3ADORA2A
SCHEMBL14875716 0.90 GAA (0.51) ALDH1A1KDM4EGAAADORA3ADORA2A
SCHEMBL14875851 0.90 GAA (0.67) ALDH1A1KDM4EGAAADORA3ADORA2A
SCHEMBL14875692 0.88 GAA (0.49) ALDH1A1KDM4EGAAADORA3ADORA2A
SCHEMBL14876370 0.88 GAA (0.58) ALDH1A1KDM4EGAAADORA3ADORA2A
SCHEMBL14875630 0.82 ADORA3 (0.50) ALDH1A1KDM4EGAAADORA3ADORA2A
SCHEMBL14875860 0.82 POLB (0.50) ALDH1A1KDM4EGAASMN1; SMN2KMT2A
SCHEMBL28041761 0.79 ADORA3 (0.47) ALDH1A1KDM4EGAAADORA3ADORA2A
SCHEMBL14875888 0.77 GAA (0.41) ALDH1A1KDM4EGAAADORA3ADORA2A
SCHEMBL14875750 0.76 CDC7 (0.51) ALDH1A1KDM4EADORA3ADORA2ASMN1; SMN2

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 1 patent. 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20160376286-A1 Pyrimidin-4-one derivatives and their use in the tratement, amelioration or prevention of a viral disease TTR, TYMP, TPMT ALDH1A1 464/4885KDM4E 3351/4885GAA 188/4885

“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.

Send feedback