SCHEMBL31609660

SCHEMBL31609660

OCn1ccc2ncccc21

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RPS6KA5 O75582 6/20 0.52
MET P08581 5/20 0.48
P2RX7 Q99572 1/20 0.44
RPS6KA4 O75676 2/20 0.41
CDC7 O00311 1/20 0.41
CDK2 P24941 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
SLC22A12 Q96S37 1/20 0.40
BRD4 O60885 1/20 0.39
NR3C1 P04150 2/20 0.39
NR3C2 P08235 2/20 0.39
AGER Q15109 1/20 0.39
PGR P06401 1/20 0.39

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
SCHEMBL12640059 0.81 RPS6KA5 (0.52) RPS6KA5METP2RX7RPS6KA4CDC7
SCHEMBL28180779 0.80 RPS6KA5 (0.47) RPS6KA5METP2RX7RPS6KA4CDC7
SCHEMBL14409582 0.78 MET (0.52) RPS6KA5METP2RX7RPS6KA4CDC7
SCHEMBL31061608 0.77 CYP11B1 (0.62) RPS6KA5METP2RX7
SCHEMBL29997534 0.77 RPS6KA5 (0.47) RPS6KA5METP2RX7RPS6KA4CDC7
SCHEMBL18926931 0.77 RPS6KA5 (0.47) RPS6KA5METP2RX7RPS6KA4CDC7
SCHEMBL4716978 0.77 CYP11B1 (0.62) RPS6KA5METP2RX7
SCHEMBL24437382 0.75 GRIN2B (0.46) RPS6KA5METP2RX7RPS6KA4BRD4
SCHEMBL4870962 0.75 P2RX7 (0.52) RPS6KA5METP2RX7RPS6KA4CDC7
SCHEMBL14409583 0.74 HTR2C (0.58) RPS6KA5METP2RX7NR3C1NR3C2

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-20250179066-A1 ZWITTERIONIC ANTIBACTERIAL COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2025-06-05 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-20250179066-A1 ZWITTERIONIC ANTIBACTERIAL COMPOUNDS MRPL21, WIZ, CFTR RPS6KA5 643/4885MET 4537/4885P2RX7 63/4885

“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.