SCHEMBL4406941

SCHEMBL4406941

Cn1nc(-c2ccc(NC(=O)Nc3cc(C(C)(C)C)on3)cc2)c2cnc(NCCN3CCOCC3)nc21

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.59
FLT3 P36888 14/20 0.57
RET P07949 7/20 0.53
CSF1R P07333 3/20 0.53
PDGFRB P09619 3/20 0.53
KIT P10721 3/20 0.53
DDR1 Q08345 3/20 0.53
LCK P06239 2/20 0.53
PDGFRA P16234 2/20 0.53
FLT4 P35916 2/20 0.53
CDK8 P49336 2/20 0.53
DDR2 Q16832 2/20 0.53
MKNK2 Q9HBH9 2/20 0.53
CDK11B P21127 1/20 0.53
CCNC P24863 1/20 0.53
BTK Q06187 1/20 0.53
KDR P35968 4/20 0.52
BMPR1B O00238 1/20 0.52
MUSK O15146 1/20 0.52
EPHB6 O15197 1/20 0.52

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
SCHEMBL4409304 0.89 RET (0.55) SLC2A1FLT3RETKDRAURKA
SCHEMBL1256177 0.86 SLC2A1 (0.62) SLC2A1FLT3RETCSF1RPDGFRB
SCHEMBL4261886 0.84 MERTK (0.51) LCKBTKKDRCDK2AXL
SCHEMBL4256025 0.83 EPHX2 (0.49) FLT3PDGFRBLCKBTKKDR
SCHEMBL4261686 0.82 LCK (0.57) FLT3CSF1RKITLCKFLT4
SCHEMBL4255813 0.82 MERTK (0.48) FLT3PDGFRBLCKBTKKDR
SCHEMBL1257973 0.81 FLT3 (0.66) SLC2A1FLT3RETCSF1RPDGFRB
SCHEMBL4259407 0.81 KDR (0.54) FLT3RETPDGFRBLCKCDK8
SCHEMBL1257507 0.80 FLT3 (0.57) SLC2A1FLT3RETCSF1RPDGFRB
SCHEMBL4260016 0.80 LCK (0.49) LCKBTKKDRAXLMAPK9

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 SLC2A1 3037/4885FLT3 78/4885RET 2015/4885
US-20090029989-A1 SUBSTITUTED PYRAZOLOPYRIMIDINES DPYD, TPMT, TYMP SLC2A1 3037/4885FLT3 78/4885RET 2015/4885
US-20040198751-A1 Pyrazolo-pyrimidine compound; anticancer agents DPYD, TYMP, TYMS SLC2A1 3990/4885FLT3 88/4885RET 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.