SCHEMBL15724366

SCHEMBL15724366

CC(C)c1ncccc1-c1ccc2ccn(C)c2c1

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PFKFB3 Q16875 15/20 0.46
GRM4 Q14833 1/20 0.41
TRPV3 Q8NET8 1/20 0.39
HSD11B1 P28845 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
SCHEMBL15723907 0.80 TRPA1 (0.43) GRM4
SCHEMBL15723902 0.80 PFKFB3 (0.43) PFKFB3
SCHEMBL15723965 0.77 GSTP1 (0.47)
SCHEMBL15723912 0.75 ALDH1A1 (0.50)
SCHEMBL30268582 0.74 PFKFB3 (0.54) PFKFB3
SCHEMBL15723922 0.72 PIK3CD (0.50)
SCHEMBL15723963 0.72 RAB9A (0.62)
SCHEMBL15723968 0.71 CYP11B2 (0.54)
SCHEMBL15674429 0.71 CTSA (0.44) PFKFB3GRM4
SCHEMBL19903845 0.71 HTR1D (0.59) HSD11B1

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 4 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-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 PFKFB3 2232/4885GRM4 4123/4885TRPV3 3152/4885
US-20170137405-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN PFKFB3 2232/4885GRM4 4123/4885TRPV3 3152/4885
US-20140142085-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN PFKFB3 2232/4885GRM4 4123/4885TRPV3 3152/4885

“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.