SCHEMBL4255801

SCHEMBL4255801

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 12/20 0.50
EIF2AK2 P19525 1/20 0.50
RET P07949 3/20 0.49
PDGFRB P09619 5/20 0.47
FLT3 P36888 3/20 0.47
NTRK1 P04629 2/20 0.47
NTRK3 Q16288 2/20 0.47
NTRK2 Q16620 2/20 0.47
LTK P29376 1/20 0.47
CDK8 P49336 1/20 0.47
MAPK14 Q16539 1/20 0.47
AURKB Q96GD4 1/20 0.47
RIPK1 Q13546 2/20 0.46
MERTK Q12866 3/20 0.45
FLT1 P17948 5/20 0.45
TEK Q02763 4/20 0.45
KIT P10721 3/20 0.45
FLT4 P35916 3/20 0.45
CSF1R P07333 3/20 0.43
ABL1 P00519 2/20 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
SCHEMBL4265958 0.98 KDR (0.49) KDREIF2AK2RETPDGFRBFLT3
SCHEMBL4262499 0.94 RET (0.51) KDREIF2AK2RETPDGFRBFLT3
SCHEMBL4257190 0.93 RET (0.47) KDREIF2AK2RETPDGFRBFLT3
SCHEMBL4256240 0.93 RET (0.50) KDREIF2AK2RETPDGFRBFLT3
SCHEMBL4264566 0.92 RET (0.46) KDREIF2AK2RETPDGFRBFLT3
SCHEMBL4223677 0.91 RET (0.51) KDREIF2AK2RETPDGFRBFLT3
SCHEMBL4265126 0.90 RET (0.46) KDREIF2AK2RETPDGFRBFLT3
SCHEMBL4260754 0.90 RET (0.46) KDREIF2AK2RETPDGFRBFLT3
SCHEMBL4265266 0.90 RET (0.47) KDREIF2AK2RETPDGFRBFLT3
SCHEMBL4544263 0.90 KDR (0.48) KDREIF2AK2RETPDGFRBFLT3

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
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-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 1773/4885EIF2AK2 201/4885RET 2015/4885
US-20090029989-A1 SUBSTITUTED PYRAZOLOPYRIMIDINES DPYD, TPMT, TYMP KDR 1773/4885EIF2AK2 201/4885RET 2015/4885
US-20040198751-A1 Pyrazolo-pyrimidine compound; anticancer agents DPYD, TYMP, TYMS KDR 2070/4885EIF2AK2 248/4885RET 1152/4885

“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.