SCHEMBL4264563

SCHEMBL4264563

CC(=O)c1cccc(NC(=O)Nc2ccc(-c3nn(C)c4nc(NCCN5CCOCC5)ncc34)cc2F)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 4/20 0.46
LCK P06239 5/20 0.44
KDR P35968 3/20 0.44
MAPK14 Q16539 3/20 0.44
JAK3 P52333 2/20 0.44
SRC P12931 1/20 0.44
TYK2 P29597 1/20 0.44
SYK P43405 1/20 0.44
MAPK8 P45983 1/20 0.44
MAPK9 P45984 1/20 0.44
MAPK10 P53779 1/20 0.44
BTK Q06187 1/20 0.44
RIPK1 Q13546 1/20 0.43
RIPK3 Q9Y572 1/20 0.43
MERTK Q12866 2/20 0.42
CSNK2A1 P68400 1/20 0.42
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
CCR3 P51677 1/20 0.40
MOK Q9UQ07 2/20 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
SCHEMBL13949440 0.92 RIPK1 (0.47) EPHX2LCKKDRMAPK14JAK3
SCHEMBL4256025 0.91 EPHX2 (0.49) EPHX2LCKKDRMAPK14JAK3
SCHEMBL4268623 0.90 EPHX2 (0.45) EPHX2LCKKDRMAPK14JAK3
SCHEMBL4708561 0.86 MERTK (0.48) LCKKDRMAPK14JAK3SRC
SCHEMBL4255947 0.83 RIPK1 (0.45) LCKKDRMAPK14JAK3SRC
SCHEMBL4409304 0.83 RET (0.55) KDR
SCHEMBL13949437 0.82 LCK (0.46) EPHX2LCKKDRMAPK14JAK3
SCHEMBL4257158 0.82 CD274 (0.44) LCKKDRMAPK14JAK3SRC
SCHEMBL4262605 0.82 RIPK1 (0.46) LCKKDRMAPK14JAK3SRC
SCHEMBL4261686 0.81 LCK (0.57) EPHX2LCKKDRMAPK14JAK3

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1432714-B1 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2008-08-06 EP claimed
US-20070293489-A1 Substituted Pyrazolopyrimidines ADAMS JERRY 2007-12-20 US claimed
US-7217710-B2 Substituted pyrazolopyrimidines SMITHKLINE BEECHAM CORPORATION (US) 2007-05-15 US claimed
US-20040198751-A1 Pyrazolo-pyrimidine compound; anticancer agents SMITHKLINE BEECHAM CORPORATION 2004-10-07 US claimed
US-20090029989-A1 SUBSTITUTED PYRAZOLOPYRIMIDINES ADAMS JERRY LEROY 2009-01-29 US disclosed
EP-1432714-B1 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2008-08-06 EP disclosed
US-20070293489-A1 Substituted Pyrazolopyrimidines ADAMS JERRY 2007-12-20 US disclosed
US-7217710-B2 Substituted pyrazolopyrimidines SMITHKLINE BEECHAM CORPORATION (US) 2007-05-15 US disclosed
US-20040198751-A1 Pyrazolo-pyrimidine compound; anticancer agents SMITHKLINE BEECHAM CORPORATION 2004-10-07 US 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 (3 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-20070293489-A1 Substituted Pyrazolopyrimidines DPYD, TPMT, TYMP EPHX2 1336/4885LCK 687/4885KDR 1773/4885
US-20090029989-A1 SUBSTITUTED PYRAZOLOPYRIMIDINES DPYD, TPMT, TYMP EPHX2 1336/4885LCK 687/4885KDR 1773/4885
US-20040198751-A1 Pyrazolo-pyrimidine compound; anticancer agents DPYD, TYMP, TYMS EPHX2 2824/4885LCK 825/4885KDR 2070/4885

“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.