SCHEMBL21334463

SCHEMBL21334463

CC(C)C(=O)C1CC1c1cnn(C)c1

nearest known ligand 0.63

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.63
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC9 Q9UKV0 1/20 0.39
HDAC5 Q9UQL6 1/20 0.39
MAP4K1 Q92918 14/20 0.39
MAOA P21397 1/20 0.36
HCAR2 Q8TDS4 1/20 0.36

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
SCHEMBL18707129 0.82 HRH3 (0.59) HRH3HDAC3HDAC4HDAC7HDAC8
SCHEMBL21334459 0.82 HRH3 (0.59) HRH3HDAC3HDAC4HDAC7HDAC8
SCHEMBL31081530 0.82 HRH3 (0.59) HRH3HDAC3HDAC4HDAC7HDAC8
SCHEMBL22885894 0.82 HRH3 (0.59) HRH3HDAC3HDAC4HDAC7HDAC8
SCHEMBL18707030 0.82 HRH3 (0.59) HRH3HDAC3HDAC4HDAC7HDAC8
SCHEMBL20524367 0.81 HRH3 (0.58) HRH3HDAC3HDAC4HDAC7HDAC8
SCHEMBL21334989 0.78 HRH3 (0.56) HRH3HDAC3HDAC4HDAC7HDAC8
SCHEMBL21093383 0.78 HRH3 (0.56) HRH3HDAC3HDAC4HDAC7HDAC8
SCHEMBL21093378 0.78 HRH3 (0.56) HRH3HDAC3HDAC4HDAC7HDAC8
SCHEMBL15314509 0.77 HRH3 (1.00) HRH3

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-11566003-B2 Isoquinolines as inhibitors of HPK1 GENENTECH, INC. (US) 2023-01-31 US disclosed
US-11034692-B1 Naphthyridines as inhibitors of HPK1 GENENTECH, INC. (US) 2021-06-15 US disclosed
US-20210163417-A1 ISOQUINOLINES AS INHIBITORS OF HPK1 GENENTECH, INC. (US) 2021-06-03 US disclosed
US-10407424-B2 Naphthyridines as inhibitors of HPK1 GENENTECH, INC. (US) 2019-09-10 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 (4 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-10407424-B2 Naphthyridines as inhibitors of HPK1 NEK1, NEK5, NEK11 HRH3 137/4885HDAC3 2434/4885HDAC4 1245/4885
US-11034692-B1 Naphthyridines as inhibitors of HPK1 NEK1, NEK5, NEK11 HRH3 137/4885HDAC3 2434/4885HDAC4 1245/4885
US-11566003-B2 Isoquinolines as inhibitors of HPK1 HIPK1, HIPK2, IP6K1 HRH3 271/4885HDAC3 1323/4885HDAC4 1358/4885
US-20210163417-A1 ISOQUINOLINES AS INHIBITORS OF HPK1 HIPK1, HIPK2, IP6K1 HRH3 271/4885HDAC3 1323/4885HDAC4 1358/4885

“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.