SCHEMBL3596955

SCHEMBL3596955

Fc1cc(-c2nc(CCNCc3cccnc3)cc(N3CCOCC3)n2)c2cc[nH]c2c1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ATR Q13535 13/20 0.49
PIK3CA P42336 7/20 0.49
MTOR P42345 2/20 0.46
PRKDC P78527 1/20 0.46
CHEK1 O14757 1/20 0.40
PDCD1 Q15116 1/20 0.40
ATRIP Q8WXE1 1/20 0.40
CD274 Q9NZQ7 1/20 0.40
PIK3CD O00329 1/20 0.39
CYP3A4 P08684 1/20 0.39

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
SCHEMBL3599566 0.88 ATR (0.53) ATRPIK3CAMTORPRKDC
SCHEMBL3605944 0.86 PIK3CA (0.49) ATRPIK3CAMTORPRKDCPIK3CD
SCHEMBL3596951 0.84 ATR (0.53) ATRPIK3CAMTORPRKDCCHEK1
SCHEMBL1029257 0.84 PIK3CA (0.56) ATRPIK3CAMTORPRKDCCHEK1
SCHEMBL13119567 0.83 PIK3CA (0.49) ATRPIK3CAPIK3CD
SCHEMBL3608310 0.82 PIK3CA (0.61) ATRPIK3CAMTORPRKDCPIK3CD
SCHEMBL1029698 0.82 PIK3CA (0.60) ATRPIK3CAPIK3CDCYP3A4
SCHEMBL1028146 0.80 PIK3CA (0.71) ATRPIK3CA
SCHEMBL3596948 0.79 ATR (0.51) ATRPIK3CAMTORPRKDCCHEK1
SCHEMBL1308679 0.78 PIK3CA (0.56) ATRPIK3CAMTOR

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-20100256143-A1 PHARMACEUTICAL COMPOUNDS BAKER STEWART JAMES 2010-10-07 US claimed

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-20100256143-A1 PHARMACEUTICAL COMPOUNDS PIK3CA, PIK3CD, JAK2 ATR 957/4885PIK3CA 1/4885MTOR 14/4885

“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.