SCHEMBL4544263

SCHEMBL4544263

Cn1nc(-c2ccc(NC(=O)Nc3cc(C(F)(F)F)ccc3F)cc2)c2cnc(NCCCCN3CCCC3)nc21

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDR P35968 9/20 0.48
PDGFRB P09619 3/20 0.48
FLT1 P17948 2/20 0.48
TEK Q02763 3/20 0.46
RET P07949 2/20 0.46
MERTK Q12866 5/20 0.44
NTRK1 P04629 1/20 0.44
LTK P29376 1/20 0.44
FLT3 P36888 1/20 0.44
CDK8 P49336 1/20 0.44
NTRK3 Q16288 1/20 0.44
MAPK14 Q16539 1/20 0.44
NTRK2 Q16620 1/20 0.44
AURKB Q96GD4 1/20 0.44
FGFR1 P11362 1/20 0.44
EIF2AK2 P19525 1/20 0.42
EPHX2 P34913 1/20 0.42
KIT P10721 1/20 0.42
FLT4 P35916 1/20 0.42

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
SCHEMBL4256240 0.91 RET (0.50) KDRPDGFRBFLT1TEKRET
SCHEMBL4265958 0.91 KDR (0.49) KDRPDGFRBFLT1TEKRET
SCHEMBL4255801 0.90 KDR (0.50) KDRPDGFRBFLT1TEKRET
SCHEMBL4262499 0.90 RET (0.51) KDRPDGFRBFLT1TEKRET
SCHEMBL4259407 0.89 KDR (0.54) KDRPDGFRBFLT1TEKRET
SCHEMBL4265126 0.88 RET (0.46) KDRPDGFRBFLT1TEKRET
SCHEMBL4257190 0.88 RET (0.47) KDRPDGFRBFLT1TEKRET
SCHEMBL4265266 0.87 RET (0.47) KDRPDGFRBFLT1TEKRET
SCHEMBL4257358 0.87 RET (0.48) KDRPDGFRBFLT1TEKRET
SCHEMBL4223677 0.87 RET (0.51) KDRPDGFRBFLT1TEKRET

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070293489-A1 Substituted Pyrazolopyrimidines ADAMS JERRY 2007-12-20 US claimed
US-20090029989-A1 SUBSTITUTED PYRAZOLOPYRIMIDINES ADAMS JERRY LEROY 2009-01-29 US disclosed
US-20070293489-A1 Substituted Pyrazolopyrimidines ADAMS JERRY 2007-12-20 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.