SCHEMBL4084813

SCHEMBL4084813

O=c1[nH]c2nc(NC3CC4CCC(C3)N4Cc3ccccc3)ncc2cc1-c1ccccc1Cl

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 3/20 0.48
ARHGDIA P52565 3/20 0.48
ROCK1 Q13464 3/20 0.48
MAPK14 Q16539 2/20 0.45
LCK P06239 1/20 0.45
LTA4H P09960 5/20 0.42
OPRM1 P35372 1/20 0.41
OPRD1 P41143 1/20 0.41
OPRK1 P41145 1/20 0.41
KCNH2 Q12809 1/20 0.41
JAK1 P23458 1/20 0.41
SIK2 Q9H0K1 1/20 0.40
SUV39H2 Q9H5I1 1/20 0.39
LMNA P02545 1/20 0.39
FGFR1 P11362 1/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL13850442 0.95 MAPK14 (0.43) ROCK2ARHGDIAROCK1MAPK14LCK
SCHEMBL13849294 0.83 LCK (0.54) ROCK2ARHGDIAROCK1MAPK14LCK
SCHEMBL4090983 0.82 MAPK14 (0.68) MAPK14LCKFGFR1
SCHEMBL4097226 0.81 LCK (0.52) ROCK2ARHGDIAROCK1MAPK14LCK
SCHEMBL4084679 0.80 SIK2 (0.41) MAPK14LCKSIK2FGFR1
SCHEMBL4084207 0.79 MAPK14 (0.66) MAPK14LCKFGFR1
SCHEMBL4084246 0.79 LCK (0.42) MAPK14LCKSIK2FGFR1
SCHEMBL13849310 0.79 ROCK2 (0.50) ROCK2ARHGDIAROCK1LTA4HOPRM1
SCHEMBL4084520 0.79 MAPK14 (0.49) ROCK2ARHGDIAROCK1MAPK14LCK
SCHEMBL6335874 0.76 MAPK14 (0.48) MAPK14LCKSIK2SUV39H2FGFR1

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 5 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
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 ROCK2 844/4885ARHGDIA 1321/4885ROCK1 109/4885

“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.