SCHEMBL21334716

SCHEMBL21334716

COC(=O)[C@H]1C[C@@H]1c1cncn1Cc1ccc(OC)cc1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 9/20 0.53
CYP11B2 P19099 9/20 0.53
MAP4K1 Q92918 1/20 0.51
TBXAS1 P24557 1/20 0.46
HSP90AA1 P07900 1/20 0.42
HSP90AB1 P08238 1/20 0.42
CYP3A4 P08684 1/20 0.42
CDK5 Q00535 3/20 0.41
CDK5R1 Q15078 3/20 0.41
CYP19A1 P11511 1/20 0.40
POLB P06746 1/20 0.39

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
SCHEMBL20519101 1.00 CYP11B1 (0.53) CYP11B1CYP11B2MAP4K1TBXAS1HSP90AA1
SCHEMBL30107166 0.90 CYP11B1 (0.51) CYP11B1CYP11B2MAP4K1HSP90AA1HSP90AB1
SCHEMBL20519343 0.90 CYP11B1 (0.51) CYP11B1CYP11B2MAP4K1HSP90AA1HSP90AB1
SCHEMBL21334717 0.76 MAP4K1 (0.67) CYP11B1CYP11B2MAP4K1
SCHEMBL20519697 0.76 MAP4K1 (0.67) CYP11B1CYP11B2MAP4K1
SCHEMBL20518941 0.75 MAP4K1 (0.76) MAP4K1
SCHEMBL21334814 0.75 MAP4K1 (0.76) MAP4K1
SCHEMBL2359239 0.70 MAPT (0.56)
SCHEMBL2359242 0.70 MAPT (0.56)
SCHEMBL23535858 0.70 CYP11B2 (0.58) CYP11B1CYP11B2HSP90AA1HSP90AB1CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11034692-B1 Naphthyridines as inhibitors of HPK1 GENENTECH, INC. (US) 2021-06-15 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 (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-10407424-B2 Naphthyridines as inhibitors of HPK1 NEK1, NEK5, NEK11 CYP11B1 3240/4885CYP11B2 3373/4885MAP4K1 59/4885
US-11034692-B1 Naphthyridines as inhibitors of HPK1 NEK1, NEK5, NEK11 CYP11B1 3240/4885CYP11B2 3373/4885MAP4K1 59/4885

“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.