SCHEMBL15928263

SCHEMBL15928263

Cc1c(C(C)C)ccc2n[nH]c(=O)n12

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 7/20 0.41
TDP1 Q9NUW8 1/20 0.40
NOTUM Q6P988 10/20 0.38
PDE5A O76074 1/20 0.36
PDE1A P54750 1/20 0.36
PDE1B Q01064 1/20 0.36
PDE3B Q13370 1/20 0.36
PDE1C Q14123 1/20 0.36
PDE3A Q14432 1/20 0.36
PARP10 Q53GL7 1/20 0.34

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
SCHEMBL15886682 0.79 CHEK1 (0.49) CHEK1NOTUMPDE5APDE1APDE1B
SCHEMBL15995871 0.76 CHEK1 (0.43) CHEK1NOTUMPDE5APDE1APDE1B
SCHEMBL15886714 0.75 CHEK1 (0.42) CHEK1NOTUMPDE5APDE1APDE1B
SCHEMBL16154730 0.73 CHEK1 (0.41) CHEK1NOTUMPDE5APDE1APDE1B
SCHEMBL17403218 0.71 CHEK1 (0.42) CHEK1TDP1NOTUMPDE5APDE1A
SCHEMBL17645969 0.69 RAB9A (0.40) CHEK1TDP1
SCHEMBL11088652 0.68 CHEK1 (0.49) CHEK1NOTUMPDE5APDE1APDE1B
SCHEMBL15875306 0.67 CHEK1 (0.36) CHEK1NOTUMPDE5APDE1APDE1B
SCHEMBL13579002 0.66 PDE5A (0.44) CHEK1NOTUMPDE5APDE1APDE1B
SCHEMBL3435779 0.65 SCN5A (0.48) CHEK1NOTUMPARP10

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-20230038823-A1 CAPSID INHIBITORS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. (US) 2023-02-09 US disclosed
WO-2021262990-A1 CAPSID INHIBITORS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. (US) 2021-12-30 WO disclosed
US-9050344-B2 Therapeutic compounds GILEAD SCIENCES, INC. (US) 2015-06-09 US disclosed
US-20140221347-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. (US) 2014-08-07 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-20230038823-A1 CAPSID INHIBITORS FOR THE TREATMENT OF HIV HAVCR2, MAVS, CD4 CHEK1 2174/4885TDP1 1208/4885NOTUM 1454/4885
US-20140221347-A1 THERAPEUTIC COMPOUNDS HAVCR2, SARS1, FURIN CHEK1 4098/4885TDP1 1898/4885NOTUM 1381/4885

“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.