SCHEMBL25035250

SCHEMBL25035250

CCc1cc(=O)n2nc(Br)nc2n1CC(=O)Nc1ccc(C(F)(F)F)cc1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 1/20 0.44
▸ WRN Q14191 1/20 0.41
▸ ALDH1A1 P00352 4/20 0.39
▸ CYP1A2 P05177 2/20 0.38
▸ CYP2D6 P10635 2/20 0.38
▸ CYP2C19 P33261 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ USP2 O75604 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ MAPT P10636 2/20 0.38
▸ POLB P06746 2/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ KMT2A Q03164 3/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ RXFP1 Q9HBX9 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ PKM P14618 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL30037179 1.00 ACHE (0.44) ACHEWRNALDH1A1CYP1A2CYP2D6
SCHEMBL30984261 0.87 THRB (0.35) WRNALDH1A1CYP1A2CYP2D6CYP2C19
SCHEMBL31047165 0.86 ACHE (0.47) ACHEWRNALDH1A1TSHRMAPT
SCHEMBL31713877 0.86 KDM4E (0.44) ALDH1A1KDM4EMAPTPOLBKMT2A
SCHEMBL30984148 0.85 THRB (0.38) WRNALDH1A1CYP1A2CYP2D6CYP2C19
SCHEMBL31499757 0.84 ACHE (0.44) ACHEWRNALDH1A1CYP1A2CYP2D6
SCHEMBL30984263 0.83 THRB (0.36) ALDH1A1CYP1A2CYP2D6CYP2C19USP2
SCHEMBL31499555 0.83 ACHE (0.43) ACHEWRNALDH1A1CYP1A2CYP2D6
SCHEMBL30984328 0.82 THRB (0.41) ALDH1A1MAPTPOLBL3MBTL1KMT2A
SCHEMBL25036852 0.81 WRN (0.61) ACHEWRNALDH1A1CYP1A2CYP2D6

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-20230046859-A1 Bicyclic Compounds and their Uses NOVARTIS PHARMA AG (CH) 2023-02-16 — — 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-20230046859-A1 Bicyclic Compounds and their Uses H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, C1R, F12 ACHE 2983/4885WRN 1829/4885ALDH1A1 2542/4885

“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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