SCHEMBL15723926

SCHEMBL15723926

CC(C)c1ncccc1-c1cncc2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 1/20 0.49
KCNH2 Q12809 1/20 0.49
PRKCZ Q05513 1/20 0.44
IKBKE Q14164 1/20 0.43
TBK1 Q9UHD2 1/20 0.43
SLC22A12 Q96S37 1/20 0.41
CYP11B2 P19099 7/20 0.41
CYP11B1 P15538 6/20 0.41
CYP3A4 P08684 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2B6 P20813 1/20 0.40
CYP2C19 P33261 1/20 0.40
CYP17A1 P05093 6/20 0.40
HTR1A P08908 1/20 0.40
HTR7 P34969 1/20 0.40
KDR P35968 1/20 0.39
EGFR P00533 1/20 0.39
HTR2C P28335 1/20 0.38

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
SCHEMBL20365107 0.84 IKBKE (0.57) KCNA5KCNH2IKBKETBK1SLC22A12
SCHEMBL15723960 0.83 MAPT (0.46) IKBKETBK1CYP11B2CYP11B1CYP3A4
SCHEMBL15730740 0.81 KCNA5 (0.48) KCNA5KCNH2PRKCZIKBKETBK1
SCHEMBL10094337 0.79 PRKCZ (0.47) KCNA5KCNH2PRKCZSLC22A12CYP11B2
SCHEMBL20873066 0.77 PRKCZ (0.64) KCNA5KCNH2PRKCZSLC22A12CYP11B2
SCHEMBL30359418 0.74 PRKCZ (0.53) KCNA5KCNH2PRKCZIKBKETBK1
SCHEMBL15723930 0.73 CYP11B2 (0.40) SLC22A12CYP11B2CYP11B1CYP3A4CYP1A2
SCHEMBL10094643 0.73 CYP11B2 (0.54) KCNA5KCNH2PRKCZSLC22A12CYP11B2
SCHEMBL20371548 0.73 IKBKE (0.48) KCNA5KCNH2IKBKETBK1SLC22A12
SCHEMBL945010 0.72 SLC22A12 (0.44) KCNA5KCNH2PRKCZIKBKETBK1

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 7 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-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 (5 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 KCNA5 2434/4885KCNH2 2726/4885PRKCZ 4464/4885
US-11034668-B2 Compounds for the treatment of HIV CCR5, NPC1, FURIN KCNA5 2434/4885KCNH2 2726/4885PRKCZ 4464/4885
US-20170137405-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN KCNA5 2434/4885KCNH2 2726/4885PRKCZ 4464/4885
US-20140142085-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN KCNA5 2434/4885KCNH2 2726/4885PRKCZ 4464/4885
US-20230012449-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN KCNA5 2434/4885KCNH2 2726/4885PRKCZ 4464/4885

“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.