SCHEMBL24251585

SCHEMBL24251585

Cc1nn2c(C(C)C)c(C(=O)NC(c3ccccc3)C3CC3)ccc2c1-c1c(F)cccc1F

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ RIPK1 Q13546 1/20 0.42
▸ TACR3 P29371 5/20 0.40
▸ KCNA5 P22460 1/20 0.40
▸ SMYD3 Q9H7B4 3/20 0.39
▸ CYP2C9 P11712 1/20 0.38
▸ PPARG P37231 2/20 0.38
▸ KCNK3 O14649 2/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ SLC6A9 P48067 2/20 0.35

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
SCHEMBL24251412 0.87 MEN1 (0.46) MEN1KMT2AALDH1A1
SCHEMBL24251582 0.84 PPARG (0.46) TACR3KCNA5CYP2C9PPARGALDH1A1
SCHEMBL24251422 0.82 ALDH1A1 (0.46) MEN1KMT2AALDH1A1
SCHEMBL24251405 0.81 ROCK2 (0.35) RIPK1PPARGKCNK3MEN1KMT2A
SCHEMBL23355438 0.79 PDE4B (0.35) ALDH1A1
SCHEMBL24251388 0.79 PDE2A (0.43) MEN1KMT2AALDH1A1
SCHEMBL24251371 0.79 KMT2A (0.41) RIPK1PPARGKCNK3MEN1KMT2A
SCHEMBL24251556 0.79 PDE2A (0.43) MEN1KMT2AALDH1A1
SCHEMBL24251401 0.79 MEN1 (0.43) PPARGMEN1KMT2A
SCHEMBL24251378 0.78 IMPDH2 (0.37) RIPK1TACR3PPARGALDH1A1

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 RIPK1 4814/4885TACR3 2597/4885KCNA5 1603/4885

“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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