SCHEMBL26020405

SCHEMBL26020405

CC(C)(C)c1cc(F)nc(C(C)(C)C)n1

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ HMGCR P04035 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.34
▸ SQOR Q9Y6N5 1/20 0.31
▸ KDM4E B2RXH2 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
SCHEMBL173244 0.83 HMGCR (0.46) HMGCRHSD17B10KDM4E
SCHEMBL26022486 0.77 HSP90AA1 (0.41) HMGCRHSD17B10KDM4E
SCHEMBL25530017 0.77 HSP90AA1 (0.32) —
SCHEMBL25530016 0.77 HSD17B10 (0.34) HSD17B10SQORKDM4E
SCHEMBL25530095 0.76 — —
SCHEMBL179446 0.76 HSD17B10 (0.55) HSD17B10KDM4E
SCHEMBL25530093 0.76 HRH4 (0.46) HSD17B10SQORKDM4E
SCHEMBL12257766 0.74 KDM4E (0.39) HMGCRHSD17B10KDM4E
SCHEMBL19154841 0.73 HMGCR (0.37) HMGCRHSD17B10SQORKDM4E
SCHEMBL19051434 0.73 HSD17B10 (0.42) HMGCRHSD17B10KDM4E

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-20240025902-A1 BIFUNCTIONAL COMPOUNDS FOR DEGRADATION OF EGFR AND RELATED METHODS OF USE BEONE MEDICINES I GMBH (CH) 2024-01-25 — — US disclosed
US-20240025902-A1 BIFUNCTIONAL COMPOUNDS FOR DEGRADATION OF EGFR AND RELATED METHODS OF USE BEONE MEDICINES I GMBH (CH) 2024-01-25 — — US disclosed
US-20230373960-A1 INDOLINE COMPOUNDS AND DERIVATIVES AS EGFR INHIBITORS BEONE MEDICINES I GMBH (CH) 2023-11-23 — — US disclosed
US-20230257376-A1 ROCK INHIBITOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF WUHAN LL SCIENCE AND TECHNOLOGY DEVELOPMENT CO. LTD. (CN) 2023-08-17 — — 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-20230373960-A1 INDOLINE COMPOUNDS AND DERIVATIVES AS EGFR INHIBITORS EGFR, ERBB2, ERBB4 HMGCR 3982/4885HSD17B10 4037/4885SQOR 3157/4885
US-20230257376-A1 ROCK INHIBITOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF ROCK1, ROCK2, RHOT2 HMGCR 307/4885HSD17B10 1285/4885SQOR 2498/4885
US-20240025902-A1 BIFUNCTIONAL COMPOUNDS FOR DEGRADATION OF EGFR AND RELATED METHODS OF USE EGFR, ERBB2, CBL HMGCR 3810/4885HSD17B10 3733/4885SQOR 4386/4885

“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.

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