SCHEMBL15925481

SCHEMBL15925481

CC(=O)c1sc(N2CCOCC2)nc1Cc1ccc2ccccc2c1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 1/20 0.49
PIK3CD O00329 13/20 0.47
PIK3CB P42338 13/20 0.47
PIK3CG P48736 2/20 0.47
PIK3CA P42336 7/20 0.47
CYP3A4 P08684 5/20 0.47
ALDH1A1 P00352 3/20 0.45
ALOX5 P09917 1/20 0.45
GAA P10253 3/20 0.43
KDM4E B2RXH2 1/20 0.43
MAPT P10636 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CETP P11597 1/20 0.43
HPGD P15428 1/20 0.43

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
SCHEMBL10298349 0.90 PIK3CD (0.57) PIN1PIK3CDPIK3CBPIK3CGPIK3CA
SCHEMBL627722 0.89 PIK3CD (0.59) PIN1PIK3CDPIK3CBPIK3CGPIK3CA
SCHEMBL15925454 0.84 PIK3CD (0.48) PIK3CDPIK3CBPIK3CGPIK3CACYP3A4
SCHEMBL15925455 0.83 AR (0.52) PIN1PIK3CDPIK3CBPIK3CGPIK3CA
SCHEMBL10288616 0.82 PIK3CD (0.48) PIN1PIK3CDPIK3CBPIK3CGPIK3CA
SCHEMBL10288310 0.81 PIK3CD (0.50) PIK3CDPIK3CBPIK3CGPIK3CACYP3A4
SCHEMBL15925480 0.81 CETP (0.41) PIN1PIK3CDPIK3CBPIK3CGPIK3CA
SCHEMBL10298371 0.80 PIK3CD (0.62) PIN1PIK3CDPIK3CBPIK3CGPIK3CA
SCHEMBL624581 0.80 PIN1 (0.41) PIN1PIK3CDPIK3CBPIK3CGPIK3CA
SCHEMBL10288324 0.79 PIK3CD (0.50) PIN1PIK3CDPIK3CBPIK3CGPIK3CA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150175563-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARM INC (US) 2015-06-25 US disclosed
US-8796268-B2 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-08-05 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-20150175563-A1 HETEROARYLS AND USES THEREOF PIK3R1, PIK3R2, PIK3R3 PIN1 622/4885PIK3CD 18/4885PIK3CB 19/4885

“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.