SCHEMBL4409304

SCHEMBL4409304

Cn1nc(-c2ccc(NC(=O)Nc3cc(C(C)(C)C)on3)c(F)c2)c2cnc(NCCN3CCOCC3)nc21

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
RET P07949 6/20 0.55
BRAF P15056 5/20 0.53
SLC2A1 P11166 1/20 0.51
FLT3 P36888 7/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
AURKA O14965 1/20 0.44
KDR P35968 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
SCHEMBL4406941 0.89 SLC2A1 (0.59) RETSLC2A1FLT3AURKAKDR
SCHEMBL14681237 0.87 RET (0.61) RETBRAFSLC2A1FLT3NPC1
SCHEMBL4708561 0.85 MERTK (0.48) KDR
SCHEMBL4257158 0.84 CD274 (0.44) BRAFKDR
SCHEMBL4268623 0.83 EPHX2 (0.45) KDR
SCHEMBL4264563 0.83 EPHX2 (0.46) KDR
SCHEMBL4259407 0.78 KDR (0.54) RETBRAFFLT3KDR
SCHEMBL1257507 0.78 FLT3 (0.57) RETBRAFSLC2A1FLT3AURKA
SCHEMBL4261490 0.77 MERTK (0.52)
SCHEMBL1256177 0.77 SLC2A1 (0.62) RETSLC2A1FLT3AURKAKDR

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 RET 2015/4885BRAF 154/4885SLC2A1 3037/4885
US-20090029989-A1 SUBSTITUTED PYRAZOLOPYRIMIDINES DPYD, TPMT, TYMP RET 2015/4885BRAF 154/4885SLC2A1 3037/4885
US-20040198751-A1 Pyrazolo-pyrimidine compound; anticancer agents DPYD, TYMP, TYMS RET 1152/4885BRAF 30/4885SLC2A1 3990/4885

“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.