SCHEMBL17458033

SCHEMBL17458033

CC1CCN(C(=O)COc2cccc3nc(C(C)NC(=O)O)n(-c4ccccc4)c(=O)c23)CC1

nearest known ligand 0.69

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 14/20 0.69
HPGD P15428 1/20 0.46
KDM4E B2RXH2 2/20 0.44
PIK3CA P42336 2/20 0.43
PIK3CB P42338 2/20 0.43
PIK3CG P48736 2/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
LMNA P02545 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
SCHEMBL17457992 0.91 PIK3CD (0.68) PIK3CDPIK3CAPIK3CBPIK3CGMEN1
SCHEMBL17461941 0.91 PIK3CD (0.64) PIK3CDHPGDKDM4EPIK3CAPIK3CB
SCHEMBL17458208 0.89 PIK3CD (0.69) PIK3CDHPGDPIK3CAPIK3CBPIK3CG
SCHEMBL17458479 0.89 PIK3CD (0.68) PIK3CDHPGDKDM4EMEN1ALDH1A1
SCHEMBL17458478 0.89 PIK3CD (0.68) PIK3CDHPGDKDM4EMEN1ALDH1A1
SCHEMBL17458206 0.82 PIK3CD (1.00) PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL17458203 0.82 PIK3CD (1.00) PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL17461936 0.80 PIK3CD (0.64) PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL17458462 0.80 PIK3CD (0.66) PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL17458426 0.80 PIK3CD (0.67) PIK3CDKDM4EMEN1ALDH1A1KMT2A

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-20180065953-A1 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS GILEAD SCIENCES, INC. 2018-03-08 US disclosed
US-9765060-B2 Phosphatidylinositol 3-kinase inhibitors GILEAD SCIENCES, INC. (US) 2017-09-19 US disclosed
US-20160024054-A1 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS GILEAD SCIENCES, INC. 2016-01-28 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 (2 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-20180065953-A1 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS PIK3CA, PIK3R5, PIK3R4 PIK3CD 8/4885HPGD 3520/4885KDM4E 2605/4885
US-20160024054-A1 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS PIK3R5, PIK3R4, PIK3CA PIK3CD 9/4885HPGD 3412/4885KDM4E 2817/4885

“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.