SCHEMBL21453101

SCHEMBL21453101

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

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.38
MEN1 O00255 1/20 0.36
CYP3A4 P08684 1/20 0.36
ALOX15 P16050 1/20 0.36
KMT2A Q03164 1/20 0.36
BLM P54132 1/20 0.32
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL14984029 0.79 LMNA (0.38) LMNAMEN1CYP3A4ALOX15KMT2A
SCHEMBL26501077 0.78 LMNA (0.41) LMNAMEN1CYP3A4ALOX15KMT2A
SCHEMBL1191595 0.78 LMNA (0.41) LMNAMEN1CYP3A4ALOX15KMT2A
SCHEMBL21453077 0.76 MEN1 (0.42) LMNAMEN1CYP3A4ALOX15KMT2A
SCHEMBL804669 0.76 MEN1 (0.42) LMNAMEN1CYP3A4ALOX15KMT2A
SCHEMBL19865075 0.75 LMNA (0.35) LMNAMEN1CYP3A4ALOX15KMT2A
SCHEMBL6285964 0.75 MEN1 (0.35) LMNAMEN1CYP3A4ALOX15KMT2A
SCHEMBL788610 0.74 LMNA (0.38) LMNAMEN1CYP3A4ALOX15KMT2A
SCHEMBL18684799 0.72 LMNA (0.36) LMNAMEN1CYP3A4ALOX15KMT2A
SCHEMBL9908446 0.72 MEN1 (0.39) LMNAMEN1CYP3A4ALOX15KMT2A

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 LMNA 1822/4885MEN1 2639/4885CYP3A4 1090/4885
US-10780092-B2 Fused pyrazine derivatives useful as soluble guanylate cyclase stimulators PDE2A, PDE3A, PDE5A LMNA 1817/4885MEN1 2650/4885CYP3A4 1158/4885

“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.