SCHEMBL4259407

SCHEMBL4259407

Cn1nc(-c2ccc(NC(=O)Nc3cc(C(F)(F)F)ccc3F)cc2)c2cnc(NCCN3CCOCC3)nc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 8/20 0.54
PDGFRB P09619 3/20 0.54
FLT1 P17948 2/20 0.54
IKBKE Q14164 1/20 0.49
EPHX2 P34913 5/20 0.49
TEK Q02763 1/20 0.47
MAPK14 Q16539 3/20 0.46
LCK P06239 2/20 0.46
SRC P12931 1/20 0.46
TYK2 P29597 1/20 0.46
SYK P43405 1/20 0.46
MAPK8 P45983 1/20 0.46
MAPK9 P45984 1/20 0.46
JAK3 P52333 1/20 0.46
MAPK10 P53779 1/20 0.46
BTK Q06187 1/20 0.46
RET P07949 2/20 0.46
RAF1 P04049 3/20 0.46
BRAF P15056 3/20 0.46
MERTK Q12866 1/20 0.44

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
SCHEMBL4261686 0.89 LCK (0.57) KDRFLT1EPHX2MAPK14LCK
SCHEMBL4544263 0.89 KDR (0.48) KDRPDGFRBFLT1EPHX2TEK
SCHEMBL4257358 0.87 RET (0.48) KDRPDGFRBFLT1TEKMAPK14
SCHEMBL4262499 0.87 RET (0.51) KDRPDGFRBFLT1TEKMAPK14
SCHEMBL4255801 0.87 KDR (0.50) KDRPDGFRBFLT1TEKMAPK14
SCHEMBL4223677 0.87 RET (0.51) KDRPDGFRBFLT1TEKMAPK14
SCHEMBL4256240 0.86 RET (0.50) KDRPDGFRBFLT1TEKMAPK14
SCHEMBL4265958 0.86 KDR (0.49) KDRPDGFRBFLT1TEKMAPK14
SCHEMBL4260016 0.85 LCK (0.49) KDREPHX2MAPK14LCKSRC
SCHEMBL4257190 0.85 RET (0.47) KDRPDGFRBFLT1TEKMAPK14

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 8 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-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 KDR 1773/4885PDGFRB 766/4885FLT1 1661/4885
US-20090029989-A1 SUBSTITUTED PYRAZOLOPYRIMIDINES DPYD, TPMT, TYMP KDR 1773/4885PDGFRB 766/4885FLT1 1661/4885
US-20040198751-A1 Pyrazolo-pyrimidine compound; anticancer agents DPYD, TYMP, TYMS KDR 2070/4885PDGFRB 703/4885FLT1 1537/4885

“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.