SCHEMBL15723938

SCHEMBL15723938

CC(=O)c1cccc(-c2cncnc2C(C)C)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 3/20 0.45
CLK4 Q9HAZ1 3/20 0.45
CSNK1G2 P78368 2/20 0.45
MKNK2 Q9HBH9 2/20 0.45
MAP4K5 Q9Y4K4 2/20 0.45
KDR P35968 3/20 0.44
ABL1 P00519 2/20 0.44
PIK3CD O00329 1/20 0.44
EGFR P00533 1/20 0.44
HCK P08631 1/20 0.44
SRC P12931 1/20 0.44
PIK3CA P42336 1/20 0.44
PIK3CB P42338 1/20 0.44
MTOR P42345 1/20 0.44
PIK3CG P48736 1/20 0.44
EPHB4 P54760 1/20 0.44
PRKDC P78527 1/20 0.44
PI4KB Q9UBF8 1/20 0.44
MAPK8 P45983 2/20 0.43
CDK8 P49336 2/20 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
SCHEMBL18853884 0.88 FYN (0.46) CLK4CSNK1G2KDRABL1EGFR
SCHEMBL14555416 0.82 MEN1 (0.46) MAP4K4CLK4CSNK1G2MKNK2MAP4K5
SCHEMBL20466856 0.76 NCOA1 (0.42) CLK4EIF4E
SCHEMBL15724380 0.76 CYP17A1 (0.46) CLK4ACVR1JAK2
SCHEMBL20371563 0.75 PIK3CD (0.46) KDRABL1PIK3CDEGFRHCK
SCHEMBL17742694 0.75 MKNK2 (0.55) MAP4K4CLK4CSNK1G2MKNK2MAP4K5
SCHEMBL26356060 0.74 AKR1C3 (0.47) MAP4K4CLK4CSNK1G2MKNK2MAP4K5
SCHEMBL15723936 0.73 KDM4E (0.63) ABL1PIK3CDSRCPIK3CAPIK3CB
SCHEMBL2456422 0.72 S100A4 (0.55) MAP4K4CLK4CSNK1G2MKNK2MAP4K5
SCHEMBL1449798 0.71 MAPT (0.53) MAP4K4CLK4CSNK1G2MKNK2MAP4K5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (3 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-20180194746-A1 Compounds For the Treatment of HIV CCR5, NPC1, FURIN MAP4K4 1858/4885CLK4 4388/4885CSNK1G2 2320/4885
US-20170137405-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN MAP4K4 1858/4885CLK4 4388/4885CSNK1G2 2320/4885
US-20140142085-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN MAP4K4 1858/4885CLK4 4388/4885CSNK1G2 2320/4885

“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.