SCHEMBL26639265

SCHEMBL26639265

FSc1ccc2nc[nH]c2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 1/20 0.53
KDM4E B2RXH2 4/20 0.52
MAPT P10636 3/20 0.52
RAD52 P43351 1/20 0.52
MMP12 P39900 1/20 0.49
CYP3A4 P08684 1/20 0.47
NAMPT P43490 1/20 0.47
XDH P47989 1/20 0.47
QPCT Q16769 6/20 0.45
HDAC6 Q9UBN7 1/20 0.44
CTNNB1 P35222 1/20 0.43
WNT3A P56704 1/20 0.43
QPCTL Q9NXS2 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
ALDH1A1 P00352 2/20 0.42
PKM P14618 1/20 0.42
HPGD P15428 1/20 0.42
HTT P42858 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL1976001 0.81 QPCT (0.55) PRKCIKDM4EMAPTRAD52MMP12
SCHEMBL8733539 0.79 QPCT (0.53) PRKCIKDM4EMAPTRAD52MMP12
SCHEMBL31190010 0.77 MMP12 (0.49) PRKCIKDM4EMAPTRAD52MMP12
SCHEMBL11855328 0.77 KDM4E (0.50) PRKCIKDM4EMAPTRAD52MMP12
SCHEMBL29589018 0.77 KDM4E (0.50) PRKCIKDM4EMAPTRAD52MMP12
SCHEMBL29403639 0.74 QPCT (0.46) PRKCIKDM4EMAPTRAD52MMP12
SCHEMBL8425541 0.74 POLB (0.46) PRKCIKDM4EMAPTRAD52MMP12
SCHEMBL30472190 0.74 QPCT (0.46) PRKCIKDM4EMAPTRAD52MMP12
SCHEMBL903277 0.74 PRKCI (0.59) PRKCIKDM4EMAPTRAD52MMP12
SCHEMBL7291376 0.73 QPCT (0.49) PRKCIKDM4EMAPTRAD52MMP12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230357261-A1 ARYL HYDROCARBON RECEPTOR LIGANDS AND THEIR ANALOGUES FOR THE PREVENTION AND TREATMENT OF INFLAMMATORY DISORDERS The University of Pittsburgh- of the Commonwealth System of Higher Education 2023-11-09 US disclosed
WO-2022061140-A1 ARYL HYDROCARBON RECEPTOR LIGANDS AND THEIR ANALOGUES FOR THE PREVENTION AND TREATMENT OF INFLAMMATORY DISORDERS THE JOHNS HOPKINS UNIVERSITY (US) 2022-03-24 WO 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-20230357261-A1 ARYL HYDROCARBON RECEPTOR LIGANDS AND THEIR ANALOGUES FOR THE PREVENTION AND TREATMENT OF INFLAMMATORY DISORDERS AHR, ARNT, MTNR1A PRKCI 4420/4885KDM4E 4317/4885MAPT 4405/4885

“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.