SCHEMBL25823477

SCHEMBL25823477

O=Cc1c(-c2ccc(CO)cc2)nc2sccn12

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
RPS6KA3 P51812 3/20 0.48
CHEK2 O96017 2/20 0.48
NR1I3 Q14994 14/20 0.47
NR1I2 O75469 2/20 0.46
THRB P10828 1/20 0.46
TEK Q02763 2/20 0.43
KDR P35968 1/20 0.43

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
SCHEMBL22633809 0.82 NPC1 (0.57) RPS6KA3CHEK2NR1I3TEKKDR
SCHEMBL4771935 0.82 TEK (0.59) RPS6KA3CHEK2NR1I3TEKKDR
SCHEMBL4771368 0.82 NR1I3 (0.52) RPS6KA3CHEK2NR1I3NR1I2THRB
SCHEMBL13551703 0.80 TEK (0.43) RPS6KA3CHEK2NR1I3NR1I2THRB
SCHEMBL13551611 0.80 TEK (0.47) RPS6KA3CHEK2NR1I3NR1I2THRB
SCHEMBL22633832 0.79 NR1I3 (0.54) RPS6KA3CHEK2NR1I3TEKKDR
SCHEMBL22633918 0.79 NR1I3 (0.54) RPS6KA3CHEK2NR1I3NR1I2THRB
SCHEMBL22633836 0.79 NR1I3 (0.54) RPS6KA3CHEK2NR1I3TEKKDR
SCHEMBL13387977 0.79 NPC1 (0.60) RPS6KA3CHEK2NR1I3TEKKDR
SCHEMBL13551700 0.78 TEK (0.42) RPS6KA3CHEK2NR1I3NR1I2THRB

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-11701345-B2 Car activator agents for cyclophosphamide-based treatments of cancer UNIVERSITY OF MARYLAND, BALTIMORE (US) 2023-07-18 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-11701345-B2 Car activator agents for cyclophosphamide-based treatments of cancer CYP2A6, CYP2B6, CYP4A11 RPS6KA3 3707/4885CHEK2 1146/4885NR1I3 532/4885

“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.