SCHEMBL2493970

SCHEMBL2493970

Cc1ccc(NC(=O)c2c(F)cc(F)cc2F)cc1C(=O)N(Nc1cccc(OCCN2CCCC2)c1)c1cncnc1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.43
DYRK1A Q13627 1/20 0.43
MET P08581 11/20 0.41
HRH3 Q9Y5N1 1/20 0.40
EPHX2 P34913 3/20 0.40
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
ABL1 P00519 1/20 0.38
KCNH2 Q12809 1/20 0.38
KIT P10721 1/20 0.38

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
SCHEMBL2493957 0.82 BTK (0.51)
SCHEMBL2499241 0.70 BTK (0.56) ABL1
SCHEMBL12190240 0.70 BTK (0.51)
SCHEMBL12190174 0.69 BTK (0.62)
SCHEMBL5995311 0.69 SRC (0.54) GSK3BDYRK1AMETHRH3HTR2A
SCHEMBL14304874 0.68 BTK (0.58)
SCHEMBL14304339 0.68 BTK (0.57) ABL1
SCHEMBL2492374 0.68 LCK (0.68) ABL1
SCHEMBL2948982 0.67 MAPK14 (0.49) ABL1
SCHEMBL2492307 0.67 LCK (0.74) ABL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8030487-B2 2-amino—5-substituted pyrimidine inhibitors TARGEGEN, INC. (US) 2011-10-04 US disclosed
US-20080027070-A1 2-AMINO--5-SUBSTITUTED PYRIMIDINE INHIBITORS TARGEGEN, INC. (US) 2008-01-31 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 (1 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-20080027070-A1 2-AMINO--5-SUBSTITUTED PYRIMIDINE INHIBITORS KDR, FLT4, FLT1 GSK3B 1728/4885DYRK1A 203/4885MET 234/4885

“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.