SCHEMBL27227802

SCHEMBL27227802

COc1ccc(Br)c2cnn(C3CCCCO3)c12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ATR Q13535 3/20 0.41
▸ CYP4F2 P78329 3/20 0.37
▸ CYP4A11 Q02928 3/20 0.37
▸ POLB P06746 2/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ LMNA P02545 1/20 0.37
▸ PDE9A O76083 3/20 0.35
▸ RXRA P19793 1/20 0.35
▸ RXRB P28702 1/20 0.35
▸ RXRG P48443 1/20 0.35
▸ EGFR P00533 1/20 0.34
▸ RET P07949 1/20 0.34
▸ CYP1A2 P05177 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL30860931 1.00 ATR (0.41) ATRCYP4F2CYP4A11POLBALDH1A1
SCHEMBL30860948 0.84 CYP4F2 (0.44) ATRCYP4F2CYP4A11POLBALDH1A1
SCHEMBL27228058 0.84 CYP4F2 (0.44) ATRCYP4F2CYP4A11POLBALDH1A1
SCHEMBL20324247 0.81 CYP4F2 (0.44) ATRCYP4F2CYP4A11POLBALDH1A1
SCHEMBL27228027 0.81 CYP4F2 (0.39) ATRCYP4F2CYP4A11ALDH1A1LMNA
SCHEMBL19617703 0.81 RXRA (0.41) ATRCYP4F2CYP4A11POLBALDH1A1
SCHEMBL30064825 0.81 RXRA (0.41) ATRCYP4F2CYP4A11POLBALDH1A1
SCHEMBL23478362 0.81 CYP4F2 (0.37) ATRCYP4F2CYP4A11POLBALDH1A1
SCHEMBL31602907 0.81 CYP4F2 (0.37) ATRCYP4F2CYP4A11POLBALDH1A1
SCHEMBL29780245 0.80 ATR (0.40) ATRCYP4F2CYP4A11POLBALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240174647-A1 KINASE MODULATORS AND METHODS OF USE THEREOF NEURON23, INC. 2024-05-30 — — US disclosed
WO-2024073073-A2 KINASE MODULATORS AND METHODS OF USE THEREOF NEURON23, INC. (US) 2024-04-04 — — WO 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-20240174647-A1 KINASE MODULATORS AND METHODS OF USE THEREOF LRRK2, MAP3K20, MAP3K5 ATR 469/4885CYP4F2 4767/4885CYP4A11 4739/4885

“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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