SCHEMBL21453077

SCHEMBL21453077

CC(C)CCCC(C)(C)F

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.42
CYP3A4 P08684 1/20 0.42
ALOX15 P16050 1/20 0.42
KMT2A Q03164 1/20 0.42
LMNA P02545 1/20 0.39
BLM P54132 1/20 0.33
PTPN2 P17706 1/20 0.32
PTPN1 P18031 1/20 0.32
CDC25B P30305 1/20 0.32
ALDH1A1 P00352 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
SCHEMBL804669 0.83 MEN1 (0.42) MEN1CYP3A4ALOX15KMT2ALMNA
SCHEMBL8756179 0.82
SCHEMBL10082814 0.82 MEN1 (0.42) MEN1CYP3A4ALOX15KMT2ALMNA
SCHEMBL1191595 0.80 LMNA (0.41) MEN1CYP3A4ALOX15KMT2ALMNA
SCHEMBL26501077 0.80 LMNA (0.41) MEN1CYP3A4ALOX15KMT2ALMNA
SCHEMBL14293684 0.79
SCHEMBL9908340 0.79 MEN1 (0.39) MEN1CYP3A4ALOX15KMT2ALMNA
SCHEMBL19545639 0.79 MEN1 (0.39) MEN1CYP3A4ALOX15KMT2ALMNA
SCHEMBL17070165 0.79 MEN1 (0.39) MEN1CYP3A4ALOX15KMT2ALMNA
SCHEMBL5347843 0.79

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10780092-B2 Fused pyrazine derivatives useful as soluble guanylate cyclase stimulators MERCK SHARP & DOHME CORP. (US) 2020-09-22 US disclosed
US-20190307753-A1 FUSED PYRAZINE DERIVATIVES USEFUL AS SOLUBLE GUANYLATE CYCLASE STIMULATORS MERCK SHARP & DOHME CORP. (US) 2019-10-10 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 (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-20190307753-A1 FUSED PYRAZINE DERIVATIVES USEFUL AS SOLUBLE GUANYLATE CYCLASE STIMULATORS PDE2A, PDE3A, PDE5A MEN1 2639/4885CYP3A4 1090/4885ALOX15 3045/4885
US-10780092-B2 Fused pyrazine derivatives useful as soluble guanylate cyclase stimulators PDE2A, PDE3A, PDE5A MEN1 2650/4885CYP3A4 1158/4885ALOX15 3050/4885

“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.