SCHEMBL21036982

SCHEMBL21036982

CN(CCOC(=O)NCc1ccc(COc2nc(N)nc3[nH]cnc23)cc1)c1ccc2nc(/C=C(\C#N)C(=O)O)sc2c1

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.34
PIN1 Q13526 1/20 0.33
MGMT P16455 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
SCHEMBL21036992 0.93 PIN1 (0.33) APPPIN1
SCHEMBL21037345 0.90 PIN1 (0.33) PIN1MGMT
SCHEMBL21036855 0.88 MAPT (0.36)
SCHEMBL21160613 0.88 APP (0.35) APPPIN1MGMT
SCHEMBL21037282 0.87 MEN1 (0.37) PIN1MGMT
SCHEMBL21036854 0.87 MAPT (0.33) APP
SCHEMBL21036833 0.87 PIN1 (0.33) PIN1MGMT
SCHEMBL21160706 0.85 APP (0.43) APPPIN1MGMT
SCHEMBL21036983 0.85 MAPT (0.38) APPPIN1MGMT
SCHEMBL21037064 0.84 PIN1 (0.34) PIN1MGMT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11209437-B2 Fluorescent probe and preparation method and use thereof FLUORESCENCE DIAGNOSIS (SHANGHAI) BIOTECH COMPANY (CN) 2021-12-28 US disclosed
US-20190187144-A1 FLUORESCENT PROBE AND PREPARATION METHOD AND USE THEREOF EAST CHINA UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2019-06-20 US disclosed
EP-3489324-A1 FLUORESCENT PROBE AND PREPARATION METHOD AND USE THEREOF East China University of Science and Technology (CN) 2019-05-29 EP 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 (2 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-20190187144-A1 FLUORESCENT PROBE AND PREPARATION METHOD AND USE THEREOF HNRNPF, HNRNPUL2, RAB5IF APP 2001/4885PIN1 2145/4885MGMT 4077/4885
US-11209437-B2 Fluorescent probe and preparation method and use thereof HNRNPF, HNRNPUL2, RAB5IF APP 2001/4885PIN1 2145/4885MGMT 4077/4885

“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.