SCHEMBL4094579

SCHEMBL4094579

NC(=O)N1CC2C(C1)C2Nc1ncc2cc(-c3ccccc3Cl)c(=O)n(C3CC3)c2n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 1/20 0.49
MAPK14 Q16539 1/20 0.49
PAK1 Q13153 2/20 0.45
SIK1 P57059 1/20 0.44
SIK2 Q9H0K1 1/20 0.44
SIK3 Q9Y2K2 1/20 0.44
TNK2 Q07912 3/20 0.44
ABL1 P00519 1/20 0.41
FGFR1 P11362 2/20 0.41
HDAC3 O15379 1/20 0.41
PAK3 O75914 1/20 0.41
PAK2 Q13177 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
CCND1 P24385 8/20 0.40
CDK2 P24941 8/20 0.40
CCNE1 P24864 7/20 0.40

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
SCHEMBL4094757 0.92 LCK (0.50) LCKMAPK14PAK1SIK1SIK2
SCHEMBL4097349 0.91 LCK (0.51) LCKMAPK14PAK1SIK1SIK2
SCHEMBL4094209 0.90 MAPK14 (0.48) LCKMAPK14PAK1SIK1SIK2
SCHEMBL4084196 0.88 LCK (0.48) LCKMAPK14PAK1SIK1SIK2
SCHEMBL4090326 0.88 LCK (0.48) LCKMAPK14PAK1SIK1SIK2
SCHEMBL4094501 0.88 LCK (0.57) LCKMAPK14PAK1SIK1SIK2
SCHEMBL4094247 0.87 LCK (0.53) LCKMAPK14PAK1SIK1SIK2
SCHEMBL4091200 0.86 MAPK14 (0.44) LCKMAPK14PAK1SIK1SIK2
SCHEMBL4094855 0.86 LCK (0.44) LCKMAPK14PAK1SIK1SIK2
SCHEMBL4084374 0.85 LCK (0.47) LCKMAPK14PAK1SIK1SIK2

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 LCK 568/4885MAPK14 3185/4885PAK1 608/4885

“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.