SCHEMBL26096218

SCHEMBL26096218

Cc1c(Br)ccc2[nH]nc(C#N)c12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 1/20 0.36
ERBB2 P04626 2/20 0.33
LRRK2 Q5S007 1/20 0.33
NTRK1 P04629 1/20 0.31
AURKA O14965 2/20 0.30
AURKB Q96GD4 2/20 0.30
PLK4 O00444 1/20 0.30
CHEK1 O14757 1/20 0.30
CHUK O15111 1/20 0.30
ROCK2 O75116 1/20 0.30
CHEK2 O96017 1/20 0.30
INSR P06213 1/20 0.30
CDK1 P06493 1/20 0.30
CSF1R P07333 1/20 0.30
PIM1 P11309 1/20 0.30
FGFR1 P11362 1/20 0.30
PRKACA P17612 1/20 0.30
FLT1 P17948 1/20 0.30
FGFR3 P22607 1/20 0.30
RPS6KB1 P23443 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
SCHEMBL19115758 0.82 MAP2K1 (0.38) MAP2K1ERBB2LRRK2NTRK1AURKA
SCHEMBL20488713 0.81 MAP2K1 (0.35) MAP2K1ERBB2NTRK1
SCHEMBL25206592 0.77 MAP2K1 (0.47) MAP2K1ERBB2NTRK1AURKAAURKB
SCHEMBL31393706 0.75 PDPK1 (0.33)
SCHEMBL3673625 0.74 MAPK1 (0.47) MAP2K1ERBB2LRRK2NTRK1AURKA
SCHEMBL30201734 0.74 MAPK1 (0.47) MAP2K1ERBB2LRRK2NTRK1AURKA
SCHEMBL31532701 0.72
SCHEMBL19104234 0.72 ERBB2 (0.34) MAP2K1ERBB2LRRK2AURKAAURKB
SCHEMBL19115902 0.72 ERBB2 (0.35) MAP2K1ERBB2
SCHEMBL26290807 0.69 EPHX2 (0.32) ERBB2LRRK2CDK5DYRK1A

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-12018016-B2 Aryl sulfonyl (hydroxy) piperidines as CCR6 inhibitors AMGEN INC. (US) 2024-06-25 US disclosed
CN-117813086-A Arylsulfonyl (hydroxy) piperidines as CCR6 inhibitors 坎莫森特里克斯公司 2024-04-02 CN disclosed
US-20230133406-A1 Aryl Sulfonyl (Hydroxy) Piperidines as CCR6 Inhibitors CHEMOCENTRYX, INC. 2023-05-04 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-20230133406-A1 Aryl Sulfonyl (Hydroxy) Piperidines as CCR6 Inhibitors CCR6, CCR1, CCR4 MAP2K1 3789/4885ERBB2 2736/4885LRRK2 3891/4885
US-12018016-B2 Aryl sulfonyl (hydroxy) piperidines as CCR6 inhibitors CCR6, CCR1, CCR4 MAP2K1 3789/4885ERBB2 2736/4885LRRK2 3891/4885

“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.