SCHEMBL17893399

SCHEMBL17893399

O=C(O)C1CCCC(C(=O)NCc2nccnc2Cl)C1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.43
USP2 O75604 1/20 0.43
ALDH1A1 P00352 1/20 0.43
KDM4E B2RXH2 5/20 0.41
BTK Q06187 1/20 0.35
MAPT P10636 1/20 0.35
CDK9 P50750 1/20 0.35
ERCC1 P07992 1/20 0.35
ERCC4 Q92889 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
MTNR1A P48039 1/20 0.34
MTNR1B P49286 1/20 0.34
TSHR P16473 1/20 0.34

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
SCHEMBL402325 0.89 HPGD (0.50) HPGDUSP2ALDH1A1KDM4EMAPT
SCHEMBL25230096 0.88 USP2 (0.43) HPGDUSP2ALDH1A1KDM4EMAPT
SCHEMBL3646039 0.88 USP2 (0.43) HPGDUSP2ALDH1A1KDM4EMAPT
SCHEMBL16748916 0.88 HPGD (0.49) HPGDUSP2ALDH1A1KDM4EMAPT
SCHEMBL22235969 0.87 HPGD (0.40) HPGDUSP2ALDH1A1KDM4EBTK
SCHEMBL14647352 0.86 HPGD (0.48) HPGDUSP2ALDH1A1KDM4EMAPT
SCHEMBL17893267 0.86 HPGD (0.41) HPGDUSP2ALDH1A1KDM4ECDK9
SCHEMBL17893265 0.86 HPGD (0.41) HPGDUSP2ALDH1A1KDM4ECDK9
SCHEMBL16748878 0.84 MAPT (0.46) HPGDUSP2ALDH1A1KDM4EMAPT
SCHEMBL17896136 0.82 KDM4E (0.41) HPGDUSP2ALDH1A1KDM4EBTK

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 8 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-20170362243-A1 BIARYLETHER IMIDAZOPYRAZINE BTK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2017-12-21 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
EP-3240545-A1 BIARYLETHER 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
WO-2016109219-A1 BIARYLETHER 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 (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-20170362243-A1 BIARYLETHER IMIDAZOPYRAZINE BTK INHIBITORS BTK, ABL1, SYK HPGD 3884/4885USP2 3052/4885ALDH1A1 4316/4885
US-20170362242-A1 BENZAMIDE IMIDAZOPYRAZINE BTK INHIBITORS BTK, SYK, ABL1 HPGD 3385/4885USP2 2668/4885ALDH1A1 3567/4885
US-10087188-B2 Benzamide imidazopyrazine Btk inhibitors BTK, SYK, ABL1 HPGD 3385/4885USP2 2668/4885ALDH1A1 3567/4885

“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.