SCHEMBL24251405

SCHEMBL24251405

Cc1nn2c(C(C)C)c(C(=O)N[C@@H](C)c3ccccc3C(F)F)ccc2c1-c1c(F)cccc1F

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 1/20 0.35
▸ ROCK1 Q13464 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ GUCY1B2 O75343 1/20 0.34
▸ GUCY1A2 P33402 1/20 0.34
▸ GUCY1A1 Q02108 1/20 0.34
▸ GUCY1B1 Q02153 1/20 0.34
▸ RIPK1 Q13546 1/20 0.34
▸ CCR1 P32246 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ PPARG P37231 4/20 0.34
▸ LMNA P02545 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ KCNK3 O14649 1/20 0.32

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
SCHEMBL24251401 0.89 MEN1 (0.43) MEN1KMT2APPARGLMNA
SCHEMBL24251371 0.89 KMT2A (0.41) ROCK2ROCK1MAPTGUCY1B2GUCY1A2
SCHEMBL24251412 0.87 MEN1 (0.46) ROCK2ROCK1MAPTMEN1KMT2A
SCHEMBL24251376 0.84 KMT2A (0.39) ROCK2ROCK1MAPTGUCY1B2GUCY1A2
SCHEMBL24251556 0.83 PDE2A (0.43) ROCK2ROCK1MAPTMEN1KMT2A
SCHEMBL24251388 0.83 PDE2A (0.43) ROCK2ROCK1MAPTMEN1KMT2A
SCHEMBL24251422 0.82 ALDH1A1 (0.46) ROCK2ROCK1MAPTMEN1KMT2A
SCHEMBL24251582 0.80 PPARG (0.46) ROCK1PPARGLMNAALDH1A1
SCHEMBL24251378 0.80 IMPDH2 (0.37) MAPTRIPK1PPARGLMNAALDH1A1
SCHEMBL23355438 0.79 PDE4B (0.35) MAPTALDH1A1

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 ROCK2 3807/4885ROCK1 3815/4885MAPT 3681/4885

“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.

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