SCHEMBL26095503

SCHEMBL26095503

Cc1c(Br)cnc2[nH]cc(CN(C)C)c12

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.52
CYP1A2 P05177 1/20 0.52
MAP4K1 Q92918 4/20 0.37
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
HTR2B P41595 1/20 0.37
LRRK2 Q5S007 1/20 0.36
CYP3A4 P08684 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TSHR P16473 1/20 0.34
CYP2C19 P33261 1/20 0.34
KMT2A Q03164 1/20 0.34
HSD17B10 Q99714 1/20 0.34
EGFR P00533 1/20 0.32

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
SCHEMBL3206828 0.77 CYP2D6 (0.54) CYP2D6CYP1A2HTR2AHTR2CHTR2B
SCHEMBL1565524 0.75 CCNK (0.35)
SCHEMBL1564880 0.74 DAO (0.35)
SCHEMBL20396265 0.72 MAPK1 (0.46)
SCHEMBL1565894 0.72 NOTUM (0.37) MAP4K1LRRK2
SCHEMBL26095838 0.72 ROCK2 (0.48) LRRK2
SCHEMBL2254864 0.72 CYP2D6 (0.41) CYP2D6CYP1A2HTR2AHTR2CHTR2B
SCHEMBL857144 0.71 AURKA (0.47) CYP2D6CYP1A2MAP4K1LRRK2CYP3A4
SCHEMBL30068918 0.71 AURKA (0.47) CYP2D6CYP1A2MAP4K1LRRK2CYP3A4
Iodide SCHEMBL25299428 0.70 AURKA (0.46) CYP2D6CYP1A2MAP4K1LRRK2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4387609-A2 ARYL SULFONYL (HYDROXY) PIPERIDINES AS CCR6 INHIBITORS ChemoCentryx, Inc. (US) 2024-06-26 EP disclosed
US-12018016-B2 Aryl sulfonyl (hydroxy) piperidines as CCR6 inhibitors AMGEN INC. (US) 2024-06-25 US disclosed
US-20230133406-A1 Aryl Sulfonyl (Hydroxy) Piperidines as CCR6 Inhibitors CHEMOCENTRYX, INC. 2023-05-04 US disclosed
WO-2023023532-A2 ARYL SULFONYL (HYDROXY) PIPERIDINES AS CCR6 INHIBITORS CHEMOCENTRYX, INC. (US) 2023-02-23 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 (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-20230133406-A1 Aryl Sulfonyl (Hydroxy) Piperidines as CCR6 Inhibitors CCR6, CCR1, CCR4 CYP2D6 129/4885CYP1A2 2315/4885MAP4K1 1813/4885
US-12018016-B2 Aryl sulfonyl (hydroxy) piperidines as CCR6 inhibitors CCR6, CCR1, CCR4 CYP2D6 129/4885CYP1A2 2315/4885MAP4K1 1813/4885

“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.