SCHEMBL17893100

SCHEMBL17893100

COC(=O)C1CCCC(c2ncc3c(Cl)nccn23)C1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.36
TNK2 Q07912 2/20 0.35
BTK Q06187 7/20 0.34
KDM1A O60341 1/20 0.33
PDE1C Q14123 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CDK9 P50750 1/20 0.33
PDE1A P54750 2/20 0.32
PDE1B Q01064 2/20 0.32
IRAK1 P51617 1/20 0.32
HSD11B1 P28845 1/20 0.32

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
SCHEMBL17893101 1.00 KDM4E (0.36) KDM4ETNK2BTKKDM1APDE1C
SCHEMBL17893109 0.94 TNK2 (0.39) KDM4ETNK2BTKKDM1APDE1C
SCHEMBL17892473 0.94 TNK2 (0.39) KDM4ETNK2BTKKDM1APDE1C
SCHEMBL397860 0.87 TNK2 (0.44) KDM4ETNK2PDE1CSMN1; SMN2MEN1
SCHEMBL397861 0.87 TNK2 (0.44) KDM4ETNK2PDE1CSMN1; SMN2MEN1
SCHEMBL17893422 0.82 KDM4E (0.33) KDM4ETNK2SMN1; SMN2MEN1KMT2A
SCHEMBL17893385 0.82 SLC6A3 (0.35) KDM4ETNK2BTKPDE1CMEN1
SCHEMBL17895976 0.82 DGAT1 (0.32) TNK2BTKPDE1CPDE1APDE1B
SCHEMBL17893386 0.80 AKR1C3 (0.38) TNK2BTKPDE1CPDE1APDE1B
SCHEMBL17892477 0.80 BTK (0.35) TNK2BTKPDE1C

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-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 KDM4E 816/4885TNK2 154/4885BTK 1/4885
US-20170362242-A1 BENZAMIDE IMIDAZOPYRAZINE BTK INHIBITORS BTK, SYK, ABL1 KDM4E 916/4885TNK2 206/4885BTK 1/4885
US-10087188-B2 Benzamide imidazopyrazine Btk inhibitors BTK, SYK, ABL1 KDM4E 916/4885TNK2 206/4885BTK 1/4885

“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.