SCHEMBL21334472

SCHEMBL21334472

CC(C)(C)Cc1cccc2[nH]c(=O)oc12

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
OGT O15294 1/20 0.41
F2 P00734 1/20 0.39
CFD P00746 1/20 0.39
DRD2 P14416 8/20 0.36
HTR1A P08908 7/20 0.36
PTDSS1 P48651 7/20 0.34
SLC6A4 P31645 1/20 0.34
NOS1 P29475 2/20 0.33
OPRM1 P35372 1/20 0.33
OPRL1 P41146 1/20 0.33
NOS3 P29474 1/20 0.33
NOS2 P35228 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
SCHEMBL21099998 0.83 OGT (0.46) OGTF2CFDDRD2HTR1A
SCHEMBL23790624 0.79 GABRA1 (0.43) OGTF2CFDDRD2HTR1A
SCHEMBL16172349 0.78 F2 (0.46) OGTF2CFDDRD2HTR1A
SCHEMBL5542039 0.78 OGT (0.44) OGTF2CFDDRD2HTR1A
SCHEMBL5546637 0.75 OGT (0.42) OGTF2CFDDRD2HTR1A
SCHEMBL16172328 0.75 OGT (0.44) OGTF2CFDDRD2HTR1A
SCHEMBL434293 0.73 OGT (0.50) OGTF2CFDDRD2HTR1A
SCHEMBL5541370 0.73 OGT (0.40) OGTF2CFDDRD2HTR1A
SCHEMBL29749641 0.73 KDM4E (0.53) OGTCFDDRD2HTR1A
SCHEMBL5542538 0.72 OGT (0.39) OGTF2CFDDRD2HTR1A

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-20210253580-A1 ISOQUINOLINE COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2021-08-19 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 OGT 3681/4885F2 4345/4885CFD 4522/4885
US-20210253580-A1 ISOQUINOLINE COMPOUNDS AND USES THEREOF HIPK1, HPGDS, IP6K1 OGT 4178/4885F2 3685/4885CFD 4714/4885
US-11566003-B2 Isoquinolines as inhibitors of HPK1 HIPK1, HIPK2, IP6K1 OGT 3861/4885F2 4238/4885CFD 4830/4885
US-20210163417-A1 ISOQUINOLINES AS INHIBITORS OF HPK1 HIPK1, HIPK2, IP6K1 OGT 3861/4885F2 4238/4885CFD 4830/4885

“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.