SCHEMBL2487544

SCHEMBL2487544

CSc1nc(CS(C)(=O)=O)cc(N2[C@H](C)COC[C@@H]2C)n1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 11/20 0.43
PIK3CD O00329 3/20 0.43
MTOR P42345 12/20 0.41
POLB P06746 1/20 0.36
ATR Q13535 5/20 0.35
CYP3A4 P08684 1/20 0.35
PRKDC P78527 1/20 0.35
CYP2C9 P11712 1/20 0.34

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
SCHEMBL4195965 0.82 PIK3CA (0.44) PIK3CAPIK3CDMTORPOLBATR
SCHEMBL1271464 0.78 MTOR (0.62) PIK3CAPIK3CDMTORPOLBATR
SCHEMBL2487135 0.76 ATR (0.44) PIK3CAMTORATRPRKDC
SCHEMBL23848911 0.76 PIK3CA (0.53) PIK3CAPIK3CDMTORATR
SCHEMBL4200787 0.70 POLB (0.36) PIK3CAPIK3CDMTORPOLBATR
SCHEMBL3927579 0.70 POLB (0.36) PIK3CAPIK3CDMTORPOLBATR
SCHEMBL23848909 0.69 PIK3CA (0.51) PIK3CAPIK3CDMTORATR
SCHEMBL1272010 0.68 POLB (0.42) MTORPOLBCYP3A4
SCHEMBL1271969 0.68 ALDH1A1 (0.37) PIK3CAPIK3CDMTORPOLBCYP3A4
SCHEMBL3923572 0.68 POLB (0.46) PIK3CAPIK3CDMTORPOLBCYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2379530-A1 PYRIMIDINE INDOLE DERIVATIVES FOR TREATING CANCER AstraZeneca AB (SE) 2011-10-26 EP disclosed
US-20110053923-A1 CHEMICAL COMPOUNDS 610 ASTRAZENECA (SE) 2011-03-03 US disclosed
WO-2010073034-A1 PYRIMIDINE INDOLE DERIVATIVES FOR TREATING CANCER ASTRAZENECA AB (SE) 2010-07-01 WO 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-20110053923-A1 CHEMICAL COMPOUNDS 610 ABCG2, CYP3A7, CYP2C19 PIK3CA 1564/4885PIK3CD 2358/4885MTOR 954/4885

“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.