SCHEMBL4088401

SCHEMBL4088401

O=c1c(-c2ccccc2Cl)cc2cnc(NC3C4CN(Cc5ccccc5)CC43)nc2n1C1CCNC1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LCK P06239 1/20 0.45
MAPK14 Q16539 1/20 0.45
TNK2 Q07912 5/20 0.42
ABL1 P00519 1/20 0.41
PAK1 Q13153 5/20 0.41
SIK2 Q9H0K1 2/20 0.40
SIK1 P57059 1/20 0.40
SIK3 Q9Y2K2 1/20 0.40
FGFR1 P11362 3/20 0.38
CDK4 P11802 2/20 0.38
CCND1 P24385 2/20 0.38
STK4 Q13043 1/20 0.38
STK3 Q13188 1/20 0.38
STK26 Q9P289 1/20 0.38
STK24 Q9Y6E0 1/20 0.38
PAK2 Q13177 2/20 0.37
EGFR P00533 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
SCHEMBL4084454 0.91 LCK (0.49) LCKMAPK14TNK2ABL1PAK1
SCHEMBL4094645 0.87 LCK (0.49) LCKMAPK14TNK2ABL1PAK1
SCHEMBL4084253 0.83 MAPK14 (0.62) LCKMAPK14ABL1PAK1SIK2
SCHEMBL4088961 0.82 PIK3CA (0.44) LCKMAPK14TNK2ABL1PAK1
SCHEMBL4090690 0.82 LCK (0.51) LCKMAPK14TNK2ABL1PAK1
SCHEMBL4094247 0.82 LCK (0.53) LCKMAPK14TNK2ABL1PAK1
SCHEMBL4088372 0.81 PAK1 (0.49) LCKMAPK14TNK2ABL1PAK1
SCHEMBL4094734 0.80 PAK1 (0.51) LCKMAPK14TNK2ABL1PAK1
SCHEMBL13849305 0.80 PAK1 (0.47) LCKMAPK14TNK2ABL1PAK1
SCHEMBL4094501 0.79 LCK (0.57) LCKMAPK14TNK2ABL1PAK1

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 3185/4885TNK2 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.