SCHEMBL31290930

SCHEMBL31290930

Cc1ccc(NC(=O)c2cc([S+](C)[O-])n(-c3ccc(F)cc3)n2)cc1C#Cc1cnc2cccnn12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 13/20 0.53
CSF1R P07333 2/20 0.52
ROR1 Q01973 6/20 0.52
ABL2 P42684 2/20 0.48
CYP3A4 P08684 2/20 0.47
KCNH2 Q12809 2/20 0.47
GAK O14976 1/20 0.47
MLNR O43193 1/20 0.47
RIPK2 O43353 1/20 0.47
JAK2 O60674 1/20 0.47
NR1I2 O75469 1/20 0.47
ABCB11 O95342 1/20 0.47
MAP4K4 O95819 1/20 0.47
EGFR P00533 1/20 0.47
NR3C1 P04150 1/20 0.47
ERBB2 P04626 1/20 0.47
NTRK1 P04629 1/20 0.47
LCK P06239 1/20 0.47
FYN P06241 1/20 0.47
PGR P06401 1/20 0.47

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
SCHEMBL24885535 1.00 ABL1 (0.53) ABL1CSF1RROR1ABL2CYP3A4
SCHEMBL24885568 0.91 ABL1 (0.46) ABL1CSF1RROR1ABL2CYP3A4
SCHEMBL30078301 0.87 ABL1 (0.57) ABL1CSF1RROR1ABL2CYP3A4
SCHEMBL24885421 0.87 ABL1 (0.57) ABL1CSF1RROR1ABL2CYP3A4
SCHEMBL24885891 0.83 ROR1 (0.57) ABL1CSF1RROR1ABL2CYP3A4
SCHEMBL30078084 0.83 ROR1 (0.57) ABL1CSF1RROR1ABL2CYP3A4
SCHEMBL31290938 0.78 ABL1 (0.48) ABL1CSF1RROR1ABL2CYP3A4
SCHEMBL24885737 0.78 ABL1 (0.48) ABL1CSF1RROR1ABL2CYP3A4
SCHEMBL24885425 0.75 NPY5R (0.33) CSF1RROR1EGFRNR3C1PDGFRB
SCHEMBL24885769 0.74 NPY5R (0.49) NR3C1RIPK1

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-20240400577-A1 MODULATORS OF PROTEIN KINASES VIBLIOME THERAPEUTICS, LLC 2024-12-05 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-20240400577-A1 MODULATORS OF PROTEIN KINASES MAP3K20, PRKCE, PRKCH ABL1 279/4885CSF1R 2303/4885ROR1 508/4885

“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.