SCHEMBL20052016

SCHEMBL20052016

CC(C)c1ncncc1-c1cnc2[nH]ccc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 4/20 0.51
PIK3CD O00329 2/20 0.51
PIK3CB P42338 2/20 0.51
PIK3CG P48736 2/20 0.51
NUDT1 P36639 1/20 0.50
CDK8 P49336 5/20 0.49
AXL P30530 2/20 0.49
RIPK1 Q13546 3/20 0.47
KDR P35968 3/20 0.46
ABL1 P00519 2/20 0.46
SRC P12931 2/20 0.46
EGFR P00533 1/20 0.46
HCK P08631 1/20 0.46
MTOR P42345 1/20 0.46
EPHB4 P54760 1/20 0.46
PRKDC P78527 1/20 0.46
BRD4 O60885 1/20 0.45
ALOX5AP P20292 2/20 0.44
FEN1 P39748 2/20 0.44
DHFR P00374 1/20 0.44

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
SCHEMBL20079126 0.85 CDK8 (0.56) PIK3CAPIK3CDPIK3CBPIK3CGNUDT1
SCHEMBL18853774 0.82 FEN1 (0.58) PIK3CAPIK3CDPIK3CBPIK3CGNUDT1
SCHEMBL15730613 0.82 PIK3CA (0.55) PIK3CAPIK3CDPIK3CBPIK3CGNUDT1
SCHEMBL23501942 0.81 METAP2 (0.45) PIK3CAPIK3CDPIK3CBPIK3CGEGFR
SCHEMBL20078968 0.78 NUDT1 (0.50) PIK3CAPIK3CDPIK3CBPIK3CGNUDT1
SCHEMBL14487912 0.76 CDK8 (0.41) PIK3CAPIK3CDPIK3CBPIK3CGNUDT1
SCHEMBL415099 0.75 PIK3CA (0.70) PIK3CAPIK3CDPIK3CBPIK3CGNUDT1
SCHEMBL16268130 0.74 CDK8 (0.61) PIK3CAPIK3CDPIK3CBPIK3CGNUDT1
SCHEMBL4831501 0.74 CDK8 (0.81) PIK3CAPIK3CDPIK3CBPIK3CGNUDT1
SCHEMBL13086836 0.73 CDK8 (0.61) PIK3CAPIK3CDPIK3CBPIK3CGNUDT1

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-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-9944619-B2 Compounds for the treatment of HIV GILEAD SCIENCES, INC. (US) 2018-04-17 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 (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-10370358-B2 Compounds for the treatment of HIV CCR5, NPC1, FURIN PIK3CA 566/4885PIK3CD 1017/4885PIK3CB 1256/4885
US-20180194746-A1 Compounds For the Treatment of HIV CCR5, NPC1, FURIN PIK3CA 566/4885PIK3CD 1017/4885PIK3CB 1256/4885

“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.