SCHEMBL24834765

SCHEMBL24834765

C[C@H]1[C@@H](CF)CN1C(=O)c1c(-c2ncccn2)nn2c(=O)cc(-c3ccc(C4CCCCC4)cc3)[nH]c12

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A7 Q99884 1/20 0.33
RIPK1 Q13546 2/20 0.32
NPC1L1 Q9UHC9 2/20 0.32
HSP90AA1 P07900 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
MAPKAPK2 P49137 1/20 0.30
PLAT P00750 1/20 0.30
DHODH Q02127 1/20 0.30
HCRTR1 O43613 1/20 0.30
HCRTR2 O43614 1/20 0.30

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
SCHEMBL29785479 1.00 SLC6A7 (0.33) SLC6A7RIPK1NPC1L1HSP90AA1GAA
SCHEMBL24834884 1.00 SLC6A7 (0.33) SLC6A7RIPK1NPC1L1HSP90AA1GAA
SCHEMBL24834780 0.94
SCHEMBL24834781 0.94
SCHEMBL29785429 0.90 PLAT (0.32) HSP90AA1GAAMAPTKMT2ATDP1
SCHEMBL24834764 0.90 PLAT (0.32) HSP90AA1GAAMAPTKMT2ATDP1
SCHEMBL24834787 0.90 PLAT (0.32) HSP90AA1GAAMAPTKMT2ATDP1
SCHEMBL24834834 0.89 MLNR (0.33) RIPK1HCRTR1HCRTR2
SCHEMBL24834830 0.89 MLNR (0.33) RIPK1HCRTR1HCRTR2
SCHEMBL24834785 0.89 PLAT (0.32) PLAT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230002396-A1 THERAPEUTIC COMPOUNDS GENENTECH, INC. (US) 2023-01-05 US disclosed
US-20230002396-A1 THERAPEUTIC COMPOUNDS GENENTECH, INC. (US) 2023-01-05 US disclosed
CN-114786778-A Therapeutic compounds 基因泰克公司 2022-07-22 CN 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 (1 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-20230002396-A1 THERAPEUTIC COMPOUNDS YAP1, YES1, TEAD2 SLC6A7 1436/4885RIPK1 1489/4885NPC1L1 981/4885

“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.