SCHEMBL21334542

SCHEMBL21334542

COC(=O)[C@@H]1C[C@H]1c1cnn(C2CCCCO2)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM5B Q9UGL1 1/20 0.36
HRH3 Q9Y5N1 1/20 0.34
ABL1 P00519 1/20 0.34
MCL1 Q07820 1/20 0.34
SLC6A2 P23975 4/20 0.34
SLC6A4 P31645 3/20 0.34
CYP4F2 P78329 3/20 0.34
CYP4A11 Q02928 3/20 0.34
RXRA P19793 1/20 0.34
RXRB P28702 1/20 0.34
RXRG P48443 1/20 0.34
FGFR1 P11362 3/20 0.34
FLT3 P36888 2/20 0.34
FGFR2 P21802 1/20 0.34
FGFR4 P22455 1/20 0.34
FGFR3 P22607 1/20 0.34
KDR P35968 1/20 0.34
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL20519706 1.00 KDM5B (0.36) KDM5BHRH3ABL1MCL1SLC6A2
SCHEMBL21334910 0.88 CYP4F2 (0.36) KDM5BHRH3ABL1CYP4F2CYP4A11
SCHEMBL28364407 0.88 CYP4F2 (0.36) KDM5BHRH3ABL1CYP4F2CYP4A11
SCHEMBL28360798 0.88 CYP4F2 (0.36) KDM5BHRH3ABL1CYP4F2CYP4A11
SCHEMBL20519095 0.86 KDM5B (0.36) KDM5BHRH3ABL1MCL1CYP4F2
SCHEMBL21334765 0.86 KDM5B (0.36) KDM5BHRH3ABL1MCL1CYP4F2
SCHEMBL28364228 0.85 KDM5B (0.36) KDM5BHRH3ABL1MCL1CYP4F2
SCHEMBL20519334 0.77 CD274 (0.42) ABL1SLC6A2SLC6A4CYP4F2CYP4A11
SCHEMBL20519332 0.77 CD274 (0.42) ABL1SLC6A2SLC6A4CYP4F2CYP4A11
SCHEMBL30107317 0.77 CD274 (0.42) ABL1SLC6A2SLC6A4CYP4F2CYP4A11

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 KDM5B 3386/4885HRH3 137/4885ABL1 2720/4885
US-11034692-B1 Naphthyridines as inhibitors of HPK1 NEK1, NEK5, NEK11 KDM5B 3386/4885HRH3 137/4885ABL1 2720/4885

“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.