SCHEMBL24251401

SCHEMBL24251401

Cc1nn2c(C(C)C)c(C(=O)N[C@@H](C)c3cccc4ccccc34)ccc2c1-c1c(F)cccc1F

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ PPARG P37231 1/20 0.42
▸ PDE2A O00408 1/20 0.42
▸ LMNA P02545 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ CNR2 P34972 1/20 0.41

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
SCHEMBL24251405 0.89 ROCK2 (0.35) MEN1KMT2APPARGLMNA
SCHEMBL24251371 0.87 KMT2A (0.41) MEN1KMT2APPARG
SCHEMBL24251412 0.86 MEN1 (0.46) MEN1KMT2APDE2ALMNAGAA
SCHEMBL24251556 0.85 PDE2A (0.43) MEN1KMT2APDE2ALMNAGAA
SCHEMBL24251388 0.85 PDE2A (0.43) MEN1KMT2APDE2ALMNAGAA
SCHEMBL24251376 0.82 KMT2A (0.39) MEN1KMT2APPARGLMNA
SCHEMBL24251557 0.81 TSHR (0.48) MEN1KMT2ALMNAGAA
SCHEMBL24251422 0.81 ALDH1A1 (0.46) MEN1KMT2APDE2ALMNAGAA
SCHEMBL24251582 0.79 PPARG (0.46) PPARGPDE2ALMNA
SCHEMBL23355438 0.78 PDE4B (0.35) —

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-20220048903-A1 Anthelminthic Heterocyclic Compounds BOEHRINGER INGELHEIM VETMEDICA GMBH (DE) 2022-02-17 — — 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-20220048903-A1 Anthelminthic Heterocyclic Compounds SDHA, PAH, PIGS MEN1 2676/4885KMT2A 1440/4885PPARG 686/4885

“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.

Send feedback