SCHEMBL9927092

SCHEMBL9927092

CC(C)C(=O)c1cc(F)cnc1Cl

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SCN5A Q14524 1/20 0.36
SCN9A Q15858 1/20 0.36
AGBL2 Q5U5Z8 1/20 0.36
MDM2 Q00987 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
FFAR2 O15552 1/20 0.33
PTGER4 P35408 1/20 0.33
CES2 O00748 2/20 0.33
CES1 P23141 2/20 0.33
KEAP1 Q14145 1/20 0.33
NFE2L2 Q16236 1/20 0.33
GPBAR1 Q8TDU6 1/20 0.32
FFAR1 O14842 1/20 0.32
JAK2 O60674 1/20 0.32
TRPM8 Q7Z2W7 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
SCHEMBL9928617 0.80 AGBL2 (0.39) SCN5ASCN9AAGBL2SMN1; SMN2KEAP1
SCHEMBL19209859 0.79 ALDH1A1 (0.33) FFAR1
SCHEMBL30849485 0.79 CA12 (0.41) SCN5ASCN9A
SCHEMBL29149064 0.79 CA12 (0.41) SCN5ASCN9A
SCHEMBL290570 0.78 KEAP1 (0.53) SCN5ASCN9AAGBL2SMN1; SMN2KEAP1
SCHEMBL4966985 0.78 ALDH1A1 (0.36) SCN5ASCN9AAGBL2MDM2SMN1; SMN2
SCHEMBL31349524 0.78 KEAP1 (0.53) SCN5ASCN9AAGBL2SMN1; SMN2KEAP1
SCHEMBL27598069 0.78 KEAP1 (0.53) SCN5ASCN9AAGBL2SMN1; SMN2KEAP1
SCHEMBL8357219 0.78 SCN5A (0.36) SCN5ASCN9AAGBL2SMN1; SMN2CES2
SCHEMBL168694 0.77 CASP1 (0.42) SCN5ASCN9AJAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10640506-B2 Cyclobutyl substituted pyrrolopyridine and pyrrolopyrimidines derivatives as JAK inhibitors INCYTE HOLDINGS CORPORATION (US) 2020-05-05 US disclosed
US-20190135813-A1 CYCLOBUTYL SUBSTITUTED PYRROLOPYRIDINE AND PYRROLOPYRIMIDINES DERIVATIVES AS JAK INHIBITORS INCYTE CORPORATION 2019-05-09 US disclosed
US-20150087632-A1 CYCLOBUTYL SUBSTITUTED PYRROLOPYRIDINE AND PYRROLOPYRIMIDINES DERIVATIVES AS JAK INHIBITORS INCYTE CORPORATION (US) 2015-03-26 US disclosed
US-8933085-B2 Cyclobutyl substituted pyrrolopyridine and pyrrolopyrimidine derivatives as JAK inhibitors INCYTE CORPORATION (US) 2015-01-13 US disclosed
US-20120149681-A1 CYCLOBUTYL SUBSTITUTED PYRROLOPYRIDINE AND PYRROLOPYRIMIDINE DERIVATIVES AS JAK INHIBITORS INCYTE CORPORATION 2012-06-14 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 (4 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-10640506-B2 Cyclobutyl substituted pyrrolopyridine and pyrrolopyrimidines derivatives as JAK inhibitors JAK2, JAK1, JAK3 SCN5A 1356/4885SCN9A 3224/4885AGBL2 2608/4885
US-20120149681-A1 CYCLOBUTYL SUBSTITUTED PYRROLOPYRIDINE AND PYRROLOPYRIMIDINE DERIVATIVES AS JAK INHIBITORS JAK1, JAK2, JAK3 SCN5A 1764/4885SCN9A 3344/4885AGBL2 2527/4885
US-20150087632-A1 CYCLOBUTYL SUBSTITUTED PYRROLOPYRIDINE AND PYRROLOPYRIMIDINES DERIVATIVES AS JAK INHIBITORS JAK2, JAK1, JAK3 SCN5A 1356/4885SCN9A 3224/4885AGBL2 2608/4885
US-20190135813-A1 CYCLOBUTYL SUBSTITUTED PYRROLOPYRIDINE AND PYRROLOPYRIMIDINES DERIVATIVES AS JAK INHIBITORS JAK2, JAK1, JAK3 SCN5A 1356/4885SCN9A 3224/4885AGBL2 2608/4885

“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.