SCHEMBL24908121

SCHEMBL24908121

COCCn1cc(C(C)C)c(Cl)n1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 2/20 0.40
CASR P41180 10/20 0.39
MAP4K4 O95819 1/20 0.37
EGFR P00533 1/20 0.37
FRK P42685 1/20 0.37
MAPK9 P45984 1/20 0.37
CSNK1D P48730 1/20 0.37
SLK Q9H2G2 1/20 0.37
USP1 O94782 2/20 0.33
JAK2 O60674 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
KDM5B Q9UGL1 1/20 0.32
P2RX7 Q99572 1/20 0.31
MDM4 O15151 1/20 0.31
MDM2 Q00987 1/20 0.31

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
SCHEMBL26452761 0.81 CASR (0.34) LRRK2CASRMAP4K4EGFRFRK
SCHEMBL15705464 0.81 LRRK2 (0.38) LRRK2CASRMAP4K4EGFRFRK
SCHEMBL24896772 0.80 JAK2 (0.35) LRRK2CASRMAP4K4EGFRFRK
SCHEMBL26141144 0.80 MAP3K5 (0.38) LRRK2CASRMAP4K4EGFRFRK
SCHEMBL24896774 0.80 MAP4K4 (0.34) LRRK2CASRMAP4K4EGFRFRK
SCHEMBL24908118 0.79
SCHEMBL24896580 0.79 KDM5B (0.33) LRRK2CASRMAP4K4EGFRFRK
SCHEMBL26452818 0.78 KDM5B (0.33) LRRK2CASRMAP4K4EGFRFRK
SCHEMBL23178730 0.77 LRRK2 (0.42) LRRK2CASRMAP4K4EGFRFRK
SCHEMBL20086560 0.77 LMNA (0.34) KDM4EALDH1A1

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-11858912-B2 Heterocyclic compounds HOFFMANN-LA ROCHE INC. (US) 2024-01-02 US disclosed
US-20230133845-A1 NOVEL HETEROCYCLIC COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2023-05-04 US disclosed
US-20230133845-A1 NOVEL HETEROCYCLIC COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2023-05-04 US disclosed
US-20230027026-A1 FUSED PYRIMIDINE COMPOUNDS, COMPOSITIONS AND MEDICINAL APPLICATIONS THEREOF BLUEPRINT MEDICINES CORPORATION 2023-01-26 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 (3 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-11858912-B2 Heterocyclic compounds F12, C1R, MRPL21 LRRK2 1208/4885CASR 3714/4885MAP4K4 3565/4885
US-20230133845-A1 NOVEL HETEROCYCLIC COMPOUNDS F12, PM20D2, XDH LRRK2 982/4885CASR 2980/4885MAP4K4 3582/4885
US-20230027026-A1 FUSED PYRIMIDINE COMPOUNDS, COMPOSITIONS AND MEDICINAL APPLICATIONS THEREOF DPYD, TYMP, TYMS LRRK2 1579/4885CASR 3880/4885MAP4K4 1584/4885

“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.