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.

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