Sugi Predict

Sugi Predict / Compounds / SCHEMBL4091218

SCHEMBL4091218

SCHEMBL4091218

O=C(OCc1ccccc1)N1CC2COCC(C1)C2Nc1ncc2cc(-c3ccccc3Cl)c(=O)n(C3CC3)c2n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 2/20 0.46
▸ LCK P06239 1/20 0.46
▸ TNK2 Q07912 3/20 0.40
▸ ABL1 P00519 1/20 0.39
▸ CCND1 P24385 7/20 0.37
▸ CCNE1 P24864 7/20 0.37
▸ CDK2 P24941 7/20 0.37
▸ CDK6 Q00534 7/20 0.37
▸ PAK1 Q13153 3/20 0.37
▸ PAK2 Q13177 2/20 0.37
▸ SIK1 P57059 1/20 0.37
▸ SIK2 Q9H0K1 1/20 0.37
▸ SIK3 Q9Y2K2 1/20 0.37
▸ CCNT1 O60563 1/20 0.37
▸ CDK4 P11802 1/20 0.37
▸ CCND3 P30281 1/20 0.37
▸ CDK9 P50750 1/20 0.37
▸ FGFR1 P11362 1/20 0.36
▸ FGFR2 P21802 1/20 0.36
▸ FGFR4 P22455 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
SCHEMBL4094855 0.92 LCK (0.44) MAPK14LCKTNK2ABL1CCND1
SCHEMBL4090690 0.87 LCK (0.51) MAPK14LCKTNK2ABL1CCND1
SCHEMBL4084196 0.83 LCK (0.48) MAPK14LCKTNK2ABL1CCND1
SCHEMBL4088381 0.81 MAPK14 (0.55) MAPK14LCKABL1PAK1SIK1
SCHEMBL4094757 0.80 LCK (0.50) MAPK14LCKTNK2ABL1CCND1
SCHEMBL4084454 0.79 LCK (0.49) MAPK14LCKTNK2ABL1CCND1
SCHEMBL4094209 0.78 MAPK14 (0.48) MAPK14LCKTNK2ABL1CCND1
SCHEMBL4089687 0.78 MAPK14 (0.41) MAPK14LCKTNK2ABL1PAK1
SCHEMBL4094579 0.78 LCK (0.49) MAPK14LCKTNK2ABL1CCND1
SCHEMBL13849294 0.77 LCK (0.54) MAPK14LCKTNK2ABL1CCND1

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 MAPK14 3185/4885LCK 568/4885TNK2 1374/4885

“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.