SCHEMBL4088372

SCHEMBL4088372

O=C(O)Cn1c(=O)c(-c2ccccc2Cl)cc2cnc(NC3C4CN(Cc5ccccc5)CC43)nc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAK1 Q13153 3/20 0.49
SIK1 P57059 1/20 0.48
SIK2 Q9H0K1 1/20 0.48
SIK3 Q9Y2K2 1/20 0.48
TNK2 Q07912 6/20 0.47
LCK P06239 1/20 0.47
MAPK14 Q16539 1/20 0.47
FGFR2 P21802 4/20 0.45
ABL1 P00519 1/20 0.45
PAK2 Q13177 2/20 0.44
HDAC3 O15379 1/20 0.44
PAK3 O75914 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
FGFR1 P11362 4/20 0.43
EGFR P00533 1/20 0.43
FGFR4 P22455 2/20 0.42

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
SCHEMBL4094734 0.93 PAK1 (0.51) PAK1SIK1SIK2SIK3TNK2
SCHEMBL4084250 0.90 TNK2 (0.47) PAK1SIK1SIK2SIK3TNK2
SCHEMBL13849305 0.88 PAK1 (0.47) PAK1SIK1SIK2SIK3TNK2
SCHEMBL4084253 0.88 MAPK14 (0.62) PAK1SIK1SIK2SIK3LCK
SCHEMBL4084454 0.86 LCK (0.49) PAK1SIK1SIK2SIK3TNK2
SCHEMBL4083975 0.86 LCK (0.54) PAK1SIK1SIK2SIK3TNK2
SCHEMBL4092205 0.85 FGFR2 (0.52) PAK1SIK1SIK2SIK3TNK2
SCHEMBL4091041 0.85 PAK1 (0.44) PAK1SIK1SIK2SIK3TNK2
SCHEMBL13849311 0.84 PAK1 (0.47) PAK1SIK1SIK2SIK3TNK2
SCHEMBL4088404 0.83 MAPK14 (0.45) PAK1SIK1SIK2SIK3TNK2

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 6 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 claimed
US-20090131430-A1 PYRIDO'2,3-DIPYRIMIDINES AS ANTI-INFLAMMATORY AGENTS RANBAXY LABORATORIES LIMITED (IN) 2009-05-21 US disclosed
US-20090131430-A1 PYRIDO'2,3-DIPYRIMIDINES AS ANTI-INFLAMMATORY AGENTS RANBAXY LABORATORIES LIMITED (IN) 2009-05-21 US disclosed
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 PAK1 608/4885SIK1 1693/4885SIK2 3142/4885

“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.