SCHEMBL25090993

SCHEMBL25090993

C[C@@H](O)c1cc(-c2cc(C(=N)N3CC[C@H](C(=O)NCc4ncc(F)cc4Cl)CC34CC4)n[nH]2)c(F)cn1

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.32
▸ GNRHR P30968 1/20 0.32
▸ CYP2D6 P10635 1/20 0.30
▸ PKM P14618 1/20 0.30
▸ CYP2C19 P33261 1/20 0.30
▸ BACE1 P56817 1/20 0.30
▸ KDM5A P29375 1/20 0.30

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
SCHEMBL29243602 0.94 KDM5A (0.34) MAPK1GNRHRCYP2D6PKMCYP2C19
SCHEMBL29243445 0.94 KDM5A (0.34) MAPK1GNRHRCYP2D6PKMCYP2C19
SCHEMBL29586441 0.94 KDM5A (0.34) MAPK1GNRHRCYP2D6PKMCYP2C19
SCHEMBL24424114 0.94 KDM5A (0.34) MAPK1GNRHRCYP2D6PKMCYP2C19
SCHEMBL24424115 0.94 KDM5A (0.34) MAPK1GNRHRCYP2D6PKMCYP2C19
SCHEMBL29585776 0.94 KDM5A (0.34) MAPK1GNRHRCYP2D6PKMCYP2C19
SCHEMBL24424120 0.94 KDM5A (0.34) MAPK1GNRHRCYP2D6PKMCYP2C19
SCHEMBL24424121 0.94 KDM5A (0.34) MAPK1GNRHRCYP2D6PKMCYP2C19
SCHEMBL29243568 0.94 KDM5A (0.34) MAPK1GNRHRCYP2D6PKMCYP2C19
SCHEMBL29243446 0.94 KDM5A (0.34) MAPK1GNRHRCYP2D6PKMCYP2C19

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-20230062861-A1 PPARg MODULATORS AND METHODS OF USE EISAI R&D MANAGEMENT CO., LTD. (JP) 2023-03-02 — — 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-20230062861-A1 PPARg MODULATORS AND METHODS OF USE PPARG, PPARA, PPARD MAPK1 1659/4885GNRHR 610/4885CYP2D6 277/4885

“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