SCHEMBL18351102

SCHEMBL18351102

Cc1nc2sc(-c3ccc(Cl)cc3F)c(C)c2c(=O)[nH]1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.48
TYMS P04818 4/20 0.44
ADORA3 P0DMS8 2/20 0.42
PARP1 P09874 2/20 0.42
PIM1 P11309 1/20 0.42
PIM2 Q9P1W9 1/20 0.42
CDK4 P11802 4/20 0.37
CCND1 P24385 4/20 0.37
CYP1A2 P05177 1/20 0.37
HIF1A Q16665 1/20 0.37
ALDH1A1 P00352 2/20 0.37
HPGD P15428 1/20 0.37
DHFR P00374 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
CDKN1A P38936 1/20 0.36

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
SCHEMBL14876293 0.88 TYMS (0.49) TYMSDHFR
SCHEMBL18351112 0.88 MAPK1 (0.50) MAPK1TYMSADORA3PARP1CDK4
SCHEMBL18351120 0.83 MAPK1 (0.52) MAPK1TYMSADORA3PARP1CYP1A2
SCHEMBL18351088 0.80 MAPK1 (0.55) MAPK1TYMSADORA3PARP1PIM1
SCHEMBL18351113 0.79 MAPK1 (0.51) MAPK1TYMSADORA3PARP1CYP1A2
SCHEMBL18351114 0.79 MAPK1 (0.48) MAPK1TYMSADORA3PARP1CDK4
SCHEMBL18351115 0.79 PARP1 (0.48) MAPK1TYMSADORA3PARP1CDK4
SCHEMBL18351118 0.79 MAPK1 (0.48) MAPK1TYMSADORA3PARP1PIM1
SCHEMBL18351131 0.78 MAPK1 (0.45) MAPK1TYMSADORA3PARP1CYP1A2
SCHEMBL18351107 0.78 MAPK1 (0.45) MAPK1TYMSADORA3PARP1CYP1A2

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 MAPK1 2142/4885TYMS 20/4885ADORA3 756/4885

“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.