SCHEMBL25217067

SCHEMBL25217067

C#CC(C)(O)c1cc(OC)ncn1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CYP2C19 P33261 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.34
▸ PDE2A O00408 1/20 0.31
▸ SMN1; SMN2 Q16637 2/20 0.30
▸ KMT2A Q03164 2/20 0.30
▸ KDM4E B2RXH2 1/20 0.30
▸ NPC1 O15118 1/20 0.30
▸ GAA P10253 1/20 0.30
▸ HTT P42858 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ TAAR1 Q96RJ0 1/20 0.30
▸ L3MBTL1 Q9Y468 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
SCHEMBL31708045 1.00 CYP2C19 (0.35) CYP2C19ALDH1A1PDE2ASMN1; SMN2KMT2A
SCHEMBL25207482 0.77 KMT2A (0.30) KMT2A
SCHEMBL2627828 0.76 CYP2C19 (0.40) CYP2C19ALDH1A1SMN1; SMN2KMT2AKDM4E
SCHEMBL30282364 0.76 CA2 (0.44) —
SCHEMBL28956162 0.76 CA2 (0.44) —
SCHEMBL31708108 0.75 PDE2A (0.51) ALDH1A1PDE2AKDM4E
SCHEMBL31708065 0.75 LMNA (0.42) CYP2C19ALDH1A1PDE2ASMN1; SMN2KMT2A
SCHEMBL25239087 0.73 PDE2A (0.33) PDE2ASMN1; SMN2
SCHEMBL31691911 0.73 CYP2C19 (0.38) CYP2C19ALDH1A1SMN1; SMN2KMT2AKDM4E
SCHEMBL30282397 0.72 — —

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
EP-4143179-B1 AZETIDIN-3-YLMETHANOL DERIVATIVES AS CCR6 RECEPTOR MODULATORS FOR THE TREATMENT OF CANCER IDORSIA PHARMACEUTICALS LTD (CH) 2025-10-22 — — EP disclosed
US-20230174514-A1 AZETIDIN-3-YLMETHANOL DERIVATIVES AS CCR6 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2023-06-08 — — 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-20230174514-A1 AZETIDIN-3-YLMETHANOL DERIVATIVES AS CCR6 RECEPTOR MODULATORS CCR6, CCR1, CCR3 CYP2C19 2415/4885ALDH1A1 1097/4885PDE2A 2055/4885

“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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