SCHEMBL25090883

SCHEMBL25090883

COc1cc(-c2cc(C(=O)N3[C@@H]4CC[C@H]3C[C@@H](C(=O)NCc3cccc(Cl)c3)C4)n[nH]2)c(Cl)cn1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.43
▸ CCNT1 O60563 1/20 0.39
▸ CDK9 P50750 1/20 0.39
▸ ROCK2 O75116 1/20 0.38
▸ ROCK1 Q13464 1/20 0.38
▸ P2RX7 Q99572 1/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ IGF1R P08069 1/20 0.37
▸ ALK Q9UM73 1/20 0.37
▸ CHKA P35790 1/20 0.37
▸ MAPT P10636 3/20 0.37
▸ BTK Q06187 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ CHEK1 O14757 1/20 0.37
▸ TSHR P16473 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ THRB P10828 1/20 0.36

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
SCHEMBL25090882 1.00 POLB (0.43) POLBCCNT1CDK9ROCK2ROCK1
SCHEMBL24423853 0.93 POLB (0.44) POLBCCNT1CDK9ROCK2ROCK1
SCHEMBL25090687 0.93 POLB (0.44) POLBCCNT1CDK9ROCK2ROCK1
SCHEMBL24424055 0.93 POLB (0.44) POLBCCNT1CDK9ROCK2ROCK1
SCHEMBL24424330 0.93 POLB (0.44) POLBCCNT1CDK9ROCK2ROCK1
SCHEMBL24422977 0.93 POLB (0.44) POLBCCNT1CDK9ROCK2ROCK1
SCHEMBL24422979 0.93 POLB (0.44) POLBCCNT1CDK9ROCK2ROCK1
SCHEMBL24422978 0.93 POLB (0.44) POLBCCNT1CDK9ROCK2ROCK1
SCHEMBL24424150 0.92 POLB (0.44) POLBCCNT1CDK9ROCK2ROCK1
SCHEMBL29583332 0.92 POLB (0.44) POLBCCNT1CDK9ROCK2ROCK1

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 POLB 992/4885CCNT1 3299/4885CDK9 2608/4885

“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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