SCHEMBL4256240

SCHEMBL4256240

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RET P07949 2/20 0.50
PDGFRB P09619 6/20 0.47
FLT3 P36888 3/20 0.47
AURKB Q96GD4 2/20 0.47
NTRK1 P04629 1/20 0.47
LTK P29376 1/20 0.47
CDK8 P49336 1/20 0.47
NTRK3 Q16288 1/20 0.47
MAPK14 Q16539 1/20 0.47
NTRK2 Q16620 1/20 0.47
KDR P35968 12/20 0.47
FLT1 P17948 4/20 0.46
KIT P10721 3/20 0.46
FLT4 P35916 3/20 0.46
TEK Q02763 3/20 0.46
RIPK1 Q13546 1/20 0.46
EIF2AK2 P19525 1/20 0.44
MERTK Q12866 3/20 0.44
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43

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
SCHEMBL4262499 0.98 RET (0.51) RETPDGFRBFLT3AURKBNTRK1
SCHEMBL4265958 0.94 KDR (0.49) RETPDGFRBFLT3AURKBNTRK1
SCHEMBL4255801 0.93 KDR (0.50) RETPDGFRBFLT3AURKBNTRK1
SCHEMBL4265266 0.92 RET (0.47) RETPDGFRBFLT3AURKBNTRK1
SCHEMBL4265126 0.91 RET (0.46) RETPDGFRBFLT3AURKBNTRK1
SCHEMBL4257190 0.91 RET (0.47) RETPDGFRBFLT3AURKBNTRK1
SCHEMBL4544263 0.91 KDR (0.48) RETPDGFRBFLT3AURKBNTRK1
SCHEMBL4223677 0.90 RET (0.51) RETPDGFRBFLT3AURKBNTRK1
SCHEMBL4264566 0.90 RET (0.46) RETPDGFRBFLT3AURKBNTRK1
SCHEMBL4260754 0.90 RET (0.46) RETPDGFRBFLT3AURKBNTRK1

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 7 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
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 RET 2015/4885PDGFRB 766/4885FLT3 78/4885
US-20090029989-A1 SUBSTITUTED PYRAZOLOPYRIMIDINES DPYD, TPMT, TYMP RET 2015/4885PDGFRB 766/4885FLT3 78/4885
US-20040198751-A1 Pyrazolo-pyrimidine compound; anticancer agents DPYD, TYMP, TYMS RET 1152/4885PDGFRB 703/4885FLT3 88/4885

“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.