SCHEMBL23067643

SCHEMBL23067643

O=C(O)NCC#Cc1cnc2[nH]ncc2c1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BRAF P15056 6/20 0.39
EGLN1 Q9GZT9 5/20 0.37
NAMPT P43490 2/20 0.37
PIK3C3 Q8NEB9 2/20 0.37
ABL1 P00519 3/20 0.36
FGFR1 P11362 1/20 0.36
CYP2C9 P11712 1/20 0.36
PDGFRA P16234 1/20 0.36
CYP2C19 P33261 1/20 0.36
FLT3 P36888 1/20 0.36
LRRK2 Q5S007 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
ALDH1A1 P00352 1/20 0.35
ROR1 Q01973 1/20 0.35

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
SCHEMBL1585560 0.82 PTPN11 (0.48) BRAFNAMPTPIK3C3ABL1FGFR1
SCHEMBL23781693 0.77 ALDH1A1 (0.63) EGLN1ABL1HDAC6ALDH1A1
SCHEMBL1586122 0.76 CYP2C19 (0.42) BRAFPIK3C3ABL1CYP2C9CYP2C19
SCHEMBL27870216 0.74 EGLN1 (0.39) BRAFEGLN1PIK3C3ABL1FGFR1
SCHEMBL22777894 0.73 EGLN1 (0.42) EGLN1ALDH1A1
SCHEMBL21591503 0.72 GRM5 (0.43) EGLN1CYP2C9CYP2C19
SCHEMBL24340235 0.72 ABL1 (0.52) ABL1FGFR1CYP2C9PDGFRACYP2C19
SCHEMBL23781611 0.72 HCAR2 (0.43) EGLN1CYP2C9CYP2C19
SCHEMBL23781601 0.72 CYP2A6 (0.57) EGLN1CYP2C9CYP2C19HDAC6
SCHEMBL503744 0.71 BRAF (0.39) BRAFPIK3C3ABL1FGFR1CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210070752-A1 HETEROCYCLIC COMPOUNDS USEFUL AS PDK1 INHIBITORS VIRACTA THERAPEUTICS, INC. 2021-03-11 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 (1 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-20210070752-A1 HETEROCYCLIC COMPOUNDS USEFUL AS PDK1 INHIBITORS PDK1, PDK2, PDK3 BRAF 504/4885EGLN1 1248/4885NAMPT 1127/4885

“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.