SCHEMBL15730259

SCHEMBL15730259

Cc1ncccc1-c1cnc2[nH]ccc2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FEN1 P39748 7/20 0.57
ALOX5AP P20292 6/20 0.57
NUDT1 P36639 2/20 0.57
CDK8 P49336 4/20 0.56
AXL P30530 2/20 0.56
PIK3CA P42336 2/20 0.55
PIK3CD O00329 1/20 0.55
PIK3CB P42338 1/20 0.55
PIK3CG P48736 1/20 0.55
PARP10 Q53GL7 1/20 0.51
PARP11 Q9NR21 1/20 0.51
RIPK1 Q13546 1/20 0.50
DHFR P00374 1/20 0.49
PLK4 O00444 1/20 0.49
DCLK1 O15075 1/20 0.49
ROCK2 O75116 1/20 0.49
PRKD3 O94806 1/20 0.49
MAP4K4 O95819 1/20 0.49
PAK4 O96013 1/20 0.49
CHEK2 O96017 1/20 0.49

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
SCHEMBL16135664 0.83 CDK8 (0.61) NUDT1CDK8AXLPIK3CAPIK3CD
SCHEMBL18853774 0.83 FEN1 (0.58) FEN1ALOX5APNUDT1CDK8AXL
SCHEMBL30399451 0.82 CDK8 (0.64) FEN1ALOX5APNUDT1CDK8AXL
SCHEMBL858328 0.82 CDK8 (0.64) FEN1ALOX5APNUDT1CDK8AXL
SCHEMBL15730613 0.79 PIK3CA (0.55) FEN1ALOX5APNUDT1CDK8AXL
SCHEMBL16135667 0.79 PARP10 (0.54) FEN1ALOX5APNUDT1CDK8AXL
SCHEMBL13854162 0.79 CDK8 (0.56) NUDT1CDK8AXLPIK3CAPIK3CD
SCHEMBL858609 0.79 AXL (0.64) FEN1ALOX5APNUDT1CDK8AXL
SCHEMBL945016 0.77 CDK8 (0.60) FEN1ALOX5APNUDT1CDK8AXL
SCHEMBL15617183 0.77 NUDT1 (0.51) FEN1ALOX5APNUDT1CDK8AXL

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-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 (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-20170137405-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN FEN1 2354/4885ALOX5AP 1825/4885NUDT1 113/4885
US-20140142085-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN FEN1 2354/4885ALOX5AP 1825/4885NUDT1 113/4885

“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.