SCHEMBL26066327

SCHEMBL26066327

Cc1cnc(C(=O)c2ccnc3[nH]ccc23)c(NS(=O)(=O)c2ccc(C)c(C)c2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.56
CCR2 P41597 1/20 0.55
CYP2C9 P11712 1/20 0.44
NUDT1 P36639 1/20 0.40
TNNI3K Q59H18 2/20 0.39
ALDH1A1 P00352 3/20 0.39
HPGD P15428 2/20 0.39
CYP1A2 P05177 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CYP2C19 P33261 1/20 0.37
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
GFER P55789 2/20 0.36
KDM4E B2RXH2 1/20 0.36
HTT P42858 1/20 0.36
GAA P10253 1/20 0.36
MCOLN3 Q8TDD5 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
NEK1 Q96PY6 1/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL12594373 0.91 CYP2C9 (0.55) CYP3A4CCR2CYP2C9NUDT1TNNI3K
SCHEMBL22461745 0.89 CYP3A4 (0.67) CYP3A4CCR2CYP2C9NUDT1TNNI3K
SCHEMBL12594251 0.89 CYP3A4 (0.63) CYP3A4CCR2CYP2C9NUDT1TNNI3K
SCHEMBL21325745 0.86 CYP3A4 (0.60) CYP3A4CCR2CYP2C9NUDT1TNNI3K
SCHEMBL12040686 0.86 CYP3A4 (0.72) CYP3A4CCR2CYP2C9TNNI3KALDH1A1
SCHEMBL1762314 0.84 CYP2C9 (0.58) CYP3A4CCR2CYP2C9NUDT1TNNI3K
SCHEMBL1762423 0.84 CYP2C9 (0.56) CYP3A4CCR2CYP2C9NUDT1CYP1A2
SCHEMBL1762385 0.84 CYP3A4 (0.79) CYP3A4CCR2CYP2C9
SCHEMBL25023972 0.84 CYP3A4 (0.64) CYP3A4CCR2CYP2C9NUDT1CYP2C19
SCHEMBL1762517 0.83 CYP2C9 (0.55) CYP3A4CCR2CYP2C9NUDT1TNNI3K

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230263784-A1 COMBINATION THERAPY USING A CHEMOKINE RECEPTOR 2 (CCR2) ANTAGONIST AND A PD-1/PD-L1 INHIBITOR CHEMOCENTRYX, INC. 2023-08-24 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-20230263784-A1 COMBINATION THERAPY USING A CHEMOKINE RECEPTOR 2 (CCR2) ANTAGONIST AND A PD-1/PD-L1 INHIBITOR CCR2, PDCD1LG2, CD274 CYP3A4 3935/4885CCR2 1/4885CYP2C9 3501/4885

“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.