SCHEMBL17893203

SCHEMBL17893203

CC(=O)O[C@@H]1C[C@H]2CC[C@]1(C)C2

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.47
ACHE P22303 1/20 0.40
HSD11B1 P28845 3/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
PAX8 Q06710 3/20 0.33
PTPN1 P18031 1/20 0.32
ALOX5 P09917 1/20 0.32
F10 P00742 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
SCHEMBL13735106 1.00 CYP3A4 (0.47) CYP3A4ACHEHSD11B1MEN1KMT2A
SCHEMBL1898309 0.83 CYP3A4 (0.34) CYP3A4
SCHEMBL1592351 0.80 CYP3A4 (0.31) CYP3A4
SCHEMBL19788627 0.78 HIF1A (0.31) CYP3A4PTPN1
SCHEMBL12935774 0.77 ALDH1A1 (0.30)
SCHEMBL22130847 0.77
SCHEMBL11908674 0.76
SCHEMBL11907639 0.76 ALDH1A1 (0.34)
SCHEMBL13688349 0.72
SCHEMBL21642934 0.71 CYP3A4 (0.34) CYP3A4ACHEHSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3240572-B1 BENZAMIDE IMIDAZOPYRAZINE BTK INHIBITORS MERCK SHARP & DOHME LLC (US) 2023-11-01 EP disclosed
US-10087188-B2 Benzamide imidazopyrazine Btk inhibitors MERCK SHARP & DOHME CORP. (US) 2018-10-02 US disclosed
US-20170362242-A1 BENZAMIDE IMIDAZOPYRAZINE BTK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2017-12-21 US disclosed
EP-3240572-A1 BENZAMIDE IMIDAZOPYRAZINE BTK INHIBITORS Merck Sharp & Dohme Corp. (US) 2017-11-08 EP disclosed
WO-2016109223-A1 BENZAMIDE IMIDAZOPYRAZINE BTK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-07-07 WO 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-20170362242-A1 BENZAMIDE IMIDAZOPYRAZINE BTK INHIBITORS BTK, SYK, ABL1 CYP3A4 2319/4885ACHE 4099/4885HSD11B1 3294/4885
US-10087188-B2 Benzamide imidazopyrazine Btk inhibitors BTK, SYK, ABL1 CYP3A4 2319/4885ACHE 4099/4885HSD11B1 3294/4885

“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.