SCHEMBL4909730

SCHEMBL4909730

Cc1cc(Nc2nc(S(C)(=O)=O)nc3c2COC3)n[nH]1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 3/20 0.43
EGFR P00533 1/20 0.41
PAK4 O96013 6/20 0.40
PLK4 O00444 5/20 0.40
AURKA O14965 6/20 0.39
AURKB Q96GD4 5/20 0.39
MEN1 O00255 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
HSD17B10 Q99714 1/20 0.38
SYK P43405 1/20 0.38
NTRK1 P04629 1/20 0.36
SRC P12931 2/20 0.36
GSK3B P49841 2/20 0.36
EIF2AK2 P19525 1/20 0.36
GSK3A P49840 1/20 0.36

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
SCHEMBL4904846 0.83 BRD4 (0.33)
SCHEMBL12102888 0.72 GSK3B (0.50) IGF1RPAK4PLK4AURKAAURKB
SCHEMBL18166015 0.71 MEN1 (0.43) IGF1RPAK4PLK4AURKAAURKB
SCHEMBL15722708 0.71 PIK3C3 (0.47) IGF1RAURKAAURKB
SCHEMBL16637894 0.68 ROCK2 (0.60) SYK
SCHEMBL4907625 0.67 SMN1; SMN2 (0.36)
SCHEMBL15831719 0.64 IGF1R (0.65) IGF1RPAK4PLK4AURKAMEN1
SCHEMBL16540616 0.64 IGF1R (0.64) IGF1R
SCHEMBL4908609 0.62 IGF1R (0.62) IGF1RAURKAAURKBSRCGSK3B
SCHEMBL15667945 0.62 PIK3C3 (0.52) IGF1RNTRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080113946-A1 N-aryl-5,7-dihydrofuro[3,4-d]pyrimidin-4-amines and analogs as activators of caspases and inducers of apoptosis and the use thereof CYNTOVIA, INC. (US) 2008-05-15 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-20080113946-A1 N-aryl-5,7-dihydrofuro[3,4-d]pyrimidin-4-amines and analogs as activators of caspases and inducers of apoptosis and the use thereof CASP7, API5, CASP5 IGF1R 1146/4885EGFR 2294/4885PAK4 624/4885

“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.