SCHEMBL15723915

SCHEMBL15723915

CC(C)c1ncccc1-c1cnc2nccnc2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 2/20 0.38
PIK3CD O00329 1/20 0.38
ABL1 P00519 1/20 0.38
EGFR P00533 1/20 0.38
HCK P08631 1/20 0.38
SRC P12931 1/20 0.38
KDR P35968 1/20 0.38
PIK3CA P42336 1/20 0.38
PIK3CB P42338 1/20 0.38
MTOR P42345 1/20 0.38
EPHB4 P54760 1/20 0.38
PRKDC P78527 1/20 0.38
TGFBR1 P36897 2/20 0.35
ALOX5AP P20292 5/20 0.33
FEN1 P39748 4/20 0.33
HSP90AA1 P07900 1/20 0.32
MAOB P27338 1/20 0.32
TDO2 P48775 1/20 0.32
BCHE P06276 2/20 0.32
ACHE P22303 2/20 0.32

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
SCHEMBL15730617 0.81 TGFBR1 (0.42) PIK3CGABL1TGFBR1ALOX5APFEN1
SCHEMBL15723962 0.80 TGFBR1 (0.52) PIK3CGPIK3CDABL1EGFRHCK
SCHEMBL15723924 0.76 CYP2A6 (0.53) PIK3CDABL1SRCPIK3CAHSP90AA1
SCHEMBL15723912 0.75 ALDH1A1 (0.50) TGFBR1NPC1POLBRAB9A
SCHEMBL14555874 0.73 ALOX5AP (0.38) ALOX5APFEN1MAOBTDO2
SCHEMBL20371410 0.72 BRD4 (0.45) ALOX5APFEN1HSP90AA1
SCHEMBL18852471 0.72 HPGDS (0.42) TDO2NPC1RAB9APDK2
SCHEMBL15723963 0.72 RAB9A (0.62) PIK3CGPIK3CDABL1EGFRHCK
SCHEMBL15723902 0.71 PFKFB3 (0.43)
SCHEMBL15723950 0.71 PTGS1 (0.44) POLBPDK2

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-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 (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-20140142085-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN PIK3CG 1184/4885PIK3CD 1017/4885ABL1 211/4885

“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.