SCHEMBL15723922

SCHEMBL15723922

CC(C)c1ncccc1-c1ccc2ccncc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 4/20 0.50
PIK3CB P42338 4/20 0.50
PIK3CG P48736 4/20 0.50
TDO2 P48775 2/20 0.48
PRKCI P41743 1/20 0.48
PRKCZ Q05513 1/20 0.47
ABL1 P00519 2/20 0.43
PIK3CA P42336 3/20 0.42
KDR P35968 2/20 0.42
EGFR P00533 1/20 0.42
HCK P08631 1/20 0.42
SRC P12931 1/20 0.42
MTOR P42345 1/20 0.42
EPHB4 P54760 1/20 0.42
PRKDC P78527 1/20 0.42
CYP11B2 P19099 5/20 0.41
CYP11B1 P15538 4/20 0.41
CYP17A1 P05093 2/20 0.41
CYP19A1 P11511 2/20 0.41
CYP1A2 P05177 1/20 0.40

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
SCHEMBL15723965 0.84 GSTP1 (0.47) MTORCYP11B2CYP11B1CYP17A1CYP19A1
SCHEMBL15730609 0.83 PIK3CD (0.51) PIK3CDPIK3CBPIK3CGTDO2PRKCI
SCHEMBL18854066 0.80 AKT1 (0.36) PIK3CDPIK3CBPIK3CGTDO2PRKCI
SCHEMBL15638799 0.80 PIK3CD (0.51) PIK3CDPIK3CBPIK3CGTDO2PRKCI
SCHEMBL18854138 0.79 MAPK9 (0.48) PIK3CDPIK3CBPIK3CGTDO2PRKCI
SCHEMBL15723912 0.78 ALDH1A1 (0.50) CYP1A2CYP2C19MAPK14CCNCCDK8
SCHEMBL15723963 0.78 RAB9A (0.62) PIK3CDPIK3CBPIK3CGABL1PIK3CA
SCHEMBL15723968 0.78 CYP11B2 (0.54) CYP11B2CYP11B1CYP17A1CYP19A1CYP1A2
SCHEMBL15723977 0.77 CYP2A6 (0.52) TDO2CYP11B1CYP1A2CYP3A4CYP2D6
SCHEMBL15730179 0.77 ABL1 (0.51) PIK3CDPIK3CBPIK3CGTDO2PRKCI

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230012449-A1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. 2023-01-12 US disclosed
US-11034668-B2 Compounds for the treatment of HIV GILEAD SCIENCES, INC. (US) 2021-06-15 US disclosed
US-10370358-B2 Compounds for the treatment of HIV GILEAD SCIENCES, INC. (US) 2019-08-06 US disclosed
US-20180194746-A1 Compounds For the Treatment of HIV GILEAD SCIENCES, INC. 2018-07-12 US disclosed
US-20180194746-A1 Compounds For the Treatment of HIV GILEAD SCIENCES, INC. 2018-07-12 US disclosed
US-9944619-B2 Compounds for the treatment of HIV GILEAD SCIENCES, INC. (US) 2018-04-17 US disclosed
US-20170137405-A1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. 2017-05-18 US disclosed
US-9540343-B2 Compounds for the treatment of HIV GILEAD SCIENCES, INC. (US) 2017-01-10 US disclosed
US-20140142085-A1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. (US) 2014-05-22 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 (6 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-10370358-B2 Compounds for the treatment of HIV CCR5, NPC1, FURIN PIK3CD 1017/4885PIK3CB 1256/4885PIK3CG 1184/4885
US-20180194746-A1 Compounds For the Treatment of HIV CCR5, NPC1, FURIN PIK3CD 1017/4885PIK3CB 1256/4885PIK3CG 1184/4885
US-11034668-B2 Compounds for the treatment of HIV CCR5, NPC1, FURIN PIK3CD 1017/4885PIK3CB 1256/4885PIK3CG 1184/4885
US-20170137405-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN PIK3CD 1017/4885PIK3CB 1256/4885PIK3CG 1184/4885
US-20140142085-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN PIK3CD 1017/4885PIK3CB 1256/4885PIK3CG 1184/4885
US-20230012449-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN PIK3CD 1017/4885PIK3CB 1256/4885PIK3CG 1184/4885

“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.