SCHEMBL27446444

SCHEMBL27446444

CC(C)c1ncc(-c2cccn(C)c2=O)cn1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 1/20 0.37
▸ ALOX5AP P20292 1/20 0.35
▸ ALDH1A1 P00352 3/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ ITGB1 P05556 2/20 0.33
▸ ITGA4 P13612 2/20 0.33
▸ ITGB7 P26010 1/20 0.33
▸ CASP3 P42574 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ PDE1A P54750 1/20 0.32
▸ PDE1B Q01064 1/20 0.32
▸ PDE1C Q14123 1/20 0.32
▸ HIF1A Q16665 1/20 0.32
▸ CYP2A6 P11509 1/20 0.32
▸ CYP2A13 Q16696 1/20 0.32
▸ HDAC1 Q13547 1/20 0.32
▸ HDAC6 Q9UBN7 1/20 0.32
▸ HDAC5 Q9UQL6 1/20 0.32
▸ BRD4 O60885 2/20 0.31
▸ APLNR P35414 1/20 0.31

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
SCHEMBL27250757 0.82 ALDH1A1 (0.40) HRH3ALOX5APALDH1A1KDM4EITGB1
SCHEMBL27446419 0.82 HRH3 (0.38) HRH3ALOX5APALDH1A1KDM4EITGB1
SCHEMBL27252253 0.81 HRH3 (0.38) HRH3ALOX5APALDH1A1KDM4EITGB1
SCHEMBL26953454 0.81 HRH3 (0.38) HRH3ALOX5APALDH1A1KDM4EITGB1
SCHEMBL27250753 0.76 CYP1A2 (0.41) HRH3ALOX5APALDH1A1KDM4EITGB1
SCHEMBL23941731 0.75 BRD4 (0.41) HRH3ALOX5APALDH1A1KDM4EBRD4
SCHEMBL30249117 0.75 BRD4 (0.41) HRH3ALOX5APALDH1A1KDM4EBRD4
SCHEMBL22241874 0.75 CYP2A6 (0.43) HRH3ALOX5APITGB1ITGA4ITGB7
SCHEMBL27252068 0.75 MEN1 (0.41) HRH3ALOX5APITGB1ITGA4ITGB7
SCHEMBL26950834 0.73 PCSK9 (0.45) ALOX5APALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240228469-A1 PCSK9 INHIBITORS AND METHODS OF USE THEREOF ASTRAZENECA AB (SE) 2024-07-11 — — US disclosed
US-20240228469-A1 PCSK9 INHIBITORS AND METHODS OF USE THEREOF ASTRAZENECA AB (SE) 2024-07-11 — — US disclosed
US-20240217951-A1 PCSK9 INHIBITORS AND METHODS OF USE THEREOF ASTRAZENECA AB (SE) 2024-07-04 — — 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 (2 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-20240228469-A1 PCSK9 INHIBITORS AND METHODS OF USE THEREOF PCSK9, PCSK7, PCSK6 HRH3 2990/4885ALOX5AP 1193/4885ALDH1A1 3112/4885
US-20240217951-A1 PCSK9 INHIBITORS AND METHODS OF USE THEREOF PCSK9, PCSK7, PCSK6 HRH3 2521/4885ALOX5AP 1522/4885ALDH1A1 1920/4885

“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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