SCHEMBL4197166

SCHEMBL4197166

C[C@H]1COCCN1c1cc(CS(=O)(=O)c2ccc(C#N)cc2Cl)nc(Cl)n1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 8/20 0.45
PIK3CD O00329 4/20 0.45
ATR Q13535 8/20 0.45
CHEK1 O14757 7/20 0.45
PDCD1 Q15116 7/20 0.45
ATRIP Q8WXE1 7/20 0.45
CD274 Q9NZQ7 7/20 0.45
MTOR P42345 6/20 0.43
POLB P06746 1/20 0.38
LRRK2 Q5S007 1/20 0.37

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
SCHEMBL4198599 0.89 POLB (0.48) PIK3CAPIK3CDATRCHEK1PDCD1
SCHEMBL8092741 0.87 PIK3CA (0.49) PIK3CAPIK3CDATRCHEK1PDCD1
SCHEMBL4202707 0.85 PIK3CA (0.51) PIK3CAPIK3CDATRCHEK1PDCD1
SCHEMBL4202609 0.82 PIK3CA (0.59) PIK3CAPIK3CDMTOR
SCHEMBL4203833 0.81 PIK3CA (0.47) PIK3CAPIK3CDATRCHEK1PDCD1
SCHEMBL4198807 0.81 ATR (0.54) PIK3CAATRATRIPMTOR
SCHEMBL4201583 0.81 PIK3CA (0.50) PIK3CAPIK3CDATRCHEK1PDCD1
SCHEMBL739607 0.81 PIK3CA (0.52) PIK3CAPIK3CDATRCHEK1PDCD1
SCHEMBL3596530 0.81 POLB (0.59) PIK3CAPIK3CDATRCHEK1PDCD1
SCHEMBL2487507 0.80 PIK3CA (0.62) PIK3CAPIK3CDATRCHEK1PDCD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101801962-A Trisubstituted pyrimidine derivatives for the treatment of proliferative diseases ASTRAZENECA AB 2010-08-11 CN disclosed
US-20090018134-A1 Compounds - 945 ASTRAZENECA AB (SE) 2009-01-15 US disclosed
US-20090018134-A1 Compounds - 945 ASTRAZENECA AB (SE) 2009-01-15 US disclosed
US-20090018134-A1 Compounds - 945 ASTRAZENECA AB (SE) 2009-01-15 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-20090018134-A1 Compounds - 945 MTOR, PIK3CA, PIK3R5 PIK3CA 2/4885PIK3CD 4/4885ATR 1185/4885

“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.