SCHEMBL888959

SCHEMBL888959

Cc1ccc(-c2ccc3sc(C(C)C)nc3c2)cn1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 2/20 0.51
PIK3CA P42336 2/20 0.51
PIK3CB P42338 2/20 0.51
PI4KA P42356 2/20 0.51
PIK3CG P48736 2/20 0.51
PI4KB Q9UBF8 2/20 0.51
AAK1 Q2M2I8 2/20 0.45
LIPG Q9Y5X9 11/20 0.44
LIPC P11150 4/20 0.43
FTO Q9C0B1 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
SCHEMBL12810257 0.82 AAK1 (0.52) PIK3CDPIK3CAPIK3CBPIK3CGAAK1
SCHEMBL12810048 0.82 PIK3CD (0.56) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG
SCHEMBL888952 0.79 AAK1 (0.52) PIK3CDPIK3CAPIK3CBPIK3CGAAK1
SCHEMBL12810070 0.78 AAK1 (0.46) AAK1LIPG
SCHEMBL14046219 0.77 SMN1; SMN2 (0.34) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG
SCHEMBL888900 0.75 AAK1 (0.46) PIK3CDPIK3CAPIK3CBPIK3CGAAK1
SCHEMBL890259 0.75 CASR (0.51) AAK1
SCHEMBL14046224 0.73 ACACB (0.38) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG
SCHEMBL4788348 0.73 DYRK1A (0.49) AAK1
SCHEMBL888965 0.72 AAK1 (0.43) PIK3CDPIK3CAPIK3CBPIK3CGAAK1

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
US-8759332-B2 Hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2014-06-24 US disclosed
WO-2011031934-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2011-03-17 WO disclosed
US-20110064697-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2011-03-17 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-20110064697-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, EIF2AK2, SLC10A1 PIK3CD 738/4885PIK3CA 537/4885PIK3CB 303/4885

“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.