SCHEMBL17893265

SCHEMBL17893265

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

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.41
KDM4E B2RXH2 4/20 0.39
ALDH1A1 P00352 3/20 0.38
USP2 O75604 1/20 0.38
CDK9 P50750 1/20 0.38
MTNR1A P48039 1/20 0.35
MTNR1B P49286 1/20 0.35
KMT2A Q03164 2/20 0.35
KCNH2 Q12809 1/20 0.34
NPC1 O15118 1/20 0.34
HTT P42858 1/20 0.34
NPSR1 Q6W5P4 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
SCHEMBL17893267 1.00 HPGD (0.41) HPGDKDM4EALDH1A1USP2CDK9
SCHEMBL17893247 0.96 KDM4E (0.36) HPGDKDM4EALDH1A1USP2CDK9
SCHEMBL17892404 0.96 KDM4E (0.36) HPGDKDM4EALDH1A1USP2CDK9
SCHEMBL30448709 0.89 KDM4E (0.40) HPGDKDM4EALDH1A1USP2MTNR1A
SCHEMBL398097 0.89 KDM4E (0.40) HPGDKDM4EALDH1A1USP2MTNR1A
SCHEMBL398098 0.89 KDM4E (0.40) HPGDKDM4EALDH1A1USP2MTNR1A
SCHEMBL17893399 0.86 HPGD (0.43) HPGDKDM4EALDH1A1USP2CDK9
SCHEMBL402325 0.86 HPGD (0.50) HPGDKDM4EALDH1A1USP2KMT2A
SCHEMBL16748916 0.84 HPGD (0.49) HPGDKDM4EALDH1A1USP2KMT2A
SCHEMBL22235969 0.84 HPGD (0.40) HPGDKDM4EALDH1A1USP2KMT2A

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-3240545-A1 BIARYLETHER IMIDAZOPYRAZINE BTK INHIBITORS Merck Sharp & Dohme Corp. (US) 2017-11-08 EP disclosed
EP-3240572-A1 BENZAMIDE IMIDAZOPYRAZINE BTK INHIBITORS Merck Sharp & Dohme Corp. (US) 2017-11-08 EP disclosed
WO-2016109219-A1 BIARYLETHER IMIDAZOPYRAZINE BTK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-07-07 WO 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 (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 3884/4885KDM4E 816/4885ALDH1A1 4316/4885
US-20170362242-A1 BENZAMIDE IMIDAZOPYRAZINE BTK INHIBITORS BTK, SYK, ABL1 HPGD 3385/4885KDM4E 916/4885ALDH1A1 3567/4885
US-10087188-B2 Benzamide imidazopyrazine Btk inhibitors BTK, SYK, ABL1 HPGD 3385/4885KDM4E 916/4885ALDH1A1 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.