SCHEMBL4090927

SCHEMBL4090927

CS(=O)(=O)c1ncc2cc(-c3ccccc3Cl)c(=O)n(-c3ccc(F)cc3)c2n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK2 O43353 8/20 0.46
NOD2 Q9HC29 8/20 0.46
ACVR1 Q04771 3/20 0.46
LYN P07948 1/20 0.46
BTK Q06187 1/20 0.46
PSEN1 P49768 1/20 0.43
PSEN2 P49810 1/20 0.43
APH1B Q8WW43 1/20 0.43
NCSTN Q92542 1/20 0.43
APH1A Q96BI3 1/20 0.43
PSENEN Q9NZ42 1/20 0.43
MAPK14 Q16539 2/20 0.41
ABL1 P00519 2/20 0.41
EGFR P00533 1/20 0.41
PDGFRB P09619 1/20 0.41
KIT P10721 1/20 0.41
FGFR1 P11362 1/20 0.41
SRC P12931 1/20 0.41
PDGFRA P16234 1/20 0.41
PAK1 Q13153 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
SCHEMBL29535579 0.83 LYN (0.46) RIPK2NOD2ACVR1LYNBTK
SCHEMBL22719087 0.83 LYN (0.46) RIPK2NOD2ACVR1LYNBTK
SCHEMBL4083936 0.81 RIPK2 (0.65) RIPK2NOD2ACVR1MAPK14ABL1
SCHEMBL4090598 0.80 MAPK14 (0.47) RIPK2NOD2ACVR1LYNBTK
SCHEMBL5113615 0.78 BRD4 (0.44) MAPK14CYP1A2HSD17B10USP2CYP2D6
SCHEMBL4091072 0.77 RIPK2 (0.48) RIPK2NOD2ACVR1MAPK14ABL1
SCHEMBL4855901 0.77 PTGS2 (0.37) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL20564708 0.76 RIPK2 (0.66) RIPK2NOD2ACVR1PSEN1PSEN2
SCHEMBL29498175 0.76 RIPK2 (0.66) RIPK2NOD2ACVR1PSEN1PSEN2
SCHEMBL4849640 0.76 PTGS2 (0.41) RIPK2NOD2PTGS2CYP1A2HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090131430-A1 PYRIDO'2,3-DIPYRIMIDINES AS ANTI-INFLAMMATORY AGENTS RANBAXY LABORATORIES LIMITED (IN) 2009-05-21 US disclosed
EP-1831215-A1 PYRIDO[2,3-D]PYRIMIDINES AS ANTI-INFLAMATORY AGENTS Ranbaxy Laboratories Limited (IN) 2007-09-12 EP disclosed
WO-2006056863-A1 PYRIDO’2, 3-D!PYRIMIDINES AS ANTI-INFLAMMATORY AGENTS RANBAXY LABORATORIES LIMITED (IN) 2006-06-01 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 (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-20090131430-A1 PYRIDO'2,3-DIPYRIMIDINES AS ANTI-INFLAMMATORY AGENTS TLR1, TPMT, NOD1 RIPK2 955/4885NOD2 48/4885ACVR1 226/4885

“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.