SCHEMBL16154709

SCHEMBL16154709

CC(C)(C)c1cccc2c1C=CNC2

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.43
CA2 P00918 1/20 0.36
GABRA1 P14867 1/20 0.32
GABRB2 P47870 1/20 0.32
KIF11 P52732 1/20 0.32
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
ALOX12 P18054 1/20 0.31

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
SCHEMBL22792946 0.77 PARP1 (0.34) PARP1
SCHEMBL13833540 0.76 PARP1 (0.47) PARP1CA2ALDH1A1
SCHEMBL31386914 0.72 PARP1 (0.41) PARP1
SCHEMBL16621278 0.72 PARP1 (0.47) PARP1
SCHEMBL28067181 0.72 PARP1 (0.47) PARP1
SCHEMBL14820465 0.72 PARP1 (0.47) PARP1
SCHEMBL9422152 0.72 CA2 (0.40) CA2GABRA1GABRB2KIF11ALDH1A1
SCHEMBL4727743 0.71 PARP1 (0.43) PARP1CA2
SCHEMBL25639017 0.71 PARP1 (0.43) PARP1CA2GABRA1GABRB2TSHR
SCHEMBL3815467 0.68 PARP1 (0.40) PARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230312567-A1 CAPSID INHIBITORS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. 2023-10-05 US disclosed
US-11680064-B2 Capsid inhibitors for the treatment of HIV GILEAD SCIENCES, INC. (US) 2023-06-20 US disclosed
US-20230038823-A1 CAPSID INHIBITORS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. (US) 2023-02-09 US disclosed
US-11247989-B2 Therapeutic compounds and uses thereof GENENTECH, INC. (US) 2022-02-15 US disclosed
US-20210009555-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2021-01-14 US disclosed
US-20190241558-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2019-08-08 US disclosed
US-9951043-B2 Therapeutic compounds GILEAD SCIENCES, INC. (US) 2018-04-24 US disclosed
US-20160108030-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2016-04-21 US disclosed
US-20140303164-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2014-10-09 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 (8 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-20230312567-A1 CAPSID INHIBITORS FOR THE TREATMENT OF HIV HAVCR2, MAVS, CD4 PARP1 468/4885CA2 3870/4885GABRA1 3957/4885
US-20210009555-A1 THERAPEUTIC COMPOUNDS HAVCR2, SARS1, RPL35 PARP1 2482/4885CA2 4692/4885GABRA1 4173/4885
US-20230038823-A1 CAPSID INHIBITORS FOR THE TREATMENT OF HIV HAVCR2, MAVS, CD4 PARP1 468/4885CA2 3870/4885GABRA1 3957/4885
US-20160108030-A1 THERAPEUTIC COMPOUNDS HAVCR2, SARS1, RPL35 PARP1 2482/4885CA2 4692/4885GABRA1 4173/4885
US-11247989-B2 Therapeutic compounds and uses thereof EP300, HDAC1, CREBBP PARP1 228/4885CA2 3042/4885GABRA1 2040/4885
US-20140303164-A1 THERAPEUTIC COMPOUNDS HAVCR2, SARS1, G6PD PARP1 2578/4885CA2 4656/4885GABRA1 4103/4885
US-20190241558-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF EP300, HDAC1, CREBBP PARP1 228/4885CA2 3042/4885GABRA1 2040/4885
US-11680064-B2 Capsid inhibitors for the treatment of HIV HAVCR2, MAVS, CD4 PARP1 468/4885CA2 3870/4885GABRA1 3957/4885

“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.