SCHEMBL18172283

SCHEMBL18172283

Cc1noc(C)c1-c1cnc(NCCN2CCS(=O)(=O)CC2)c(N)c1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 5/20 0.48
CYP3A4 P08684 4/20 0.48
CLK4 Q9HAZ1 4/20 0.48
LMNA P02545 4/20 0.48
CYP2D6 P10635 3/20 0.48
HIF1A Q16665 1/20 0.48
HSD17B10 Q99714 1/20 0.48
ALOX15 P16050 3/20 0.47
CYP2C19 P33261 2/20 0.47
BRD4 O60885 10/20 0.46
ALDH1A1 P00352 2/20 0.43
USP2 O75604 1/20 0.40
IRAK1 P51617 1/20 0.40
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38
CARM1 Q86X55 1/20 0.37

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
SCHEMBL18172284 0.87 CYP1A2 (0.62) CYP1A2CYP3A4CLK4LMNACYP2D6
SCHEMBL20832798 0.86 CYP1A2 (0.49) CYP1A2CYP3A4CLK4LMNACYP2D6
SCHEMBL18172293 0.85 CYP1A2 (0.45) CYP1A2CYP3A4CLK4LMNACYP2D6
SCHEMBL18172277 0.78 CYP1A2 (0.41) CYP1A2CYP3A4CLK4LMNACYP2D6
SCHEMBL20061673 0.75 IRAK1 (0.42) CYP1A2CYP2C19IRAK1ADORA2AADORA1
SCHEMBL20061676 0.73 ATAD2 (0.44) CYP1A2CYP3A4CLK4LMNAHIF1A
SCHEMBL18181083 0.73 CYP1A2 (0.58) CYP1A2CYP3A4CLK4LMNACYP2D6
SCHEMBL20832906 0.72 CYP1A2 (0.46) CYP1A2CYP3A4CLK4LMNACYP2D6
SCHEMBL19726803 0.72 BRD4 (0.51) CYP1A2CYP3A4CLK4LMNAHIF1A
SCHEMBL21564083 0.69 CYP1A2 (0.63) CYP1A2CYP3A4CLK4LMNACYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107750251-B Isoxazolyl-substituted imidazopyridines 塞尔森瑞科有限责任公司 2020-09-01 CN disclosed
US-10428065-B2 Isoxazolyl substituted imidazopyridines CELLCENTRIC LTD (GB) 2019-10-01 US disclosed
US-10428065-B2 Isoxazolyl substituted imidazopyridines CELLCENTRIC LTD (GB) 2019-10-01 US disclosed
EP-3286188-B1 ISOXAZOLYL SUBSTITUTED IMIDAZOPYRIDINES CELLCENTRIC LTD (GB) 2019-03-20 EP disclosed
EP-3286188-B1 ISOXAZOLYL SUBSTITUTED IMIDAZOPYRIDINES CELLCENTRIC LTD (GB) 2019-03-20 EP disclosed
US-20180105519-A1 ISOXAZOLYL SUBSTITUTED IMIDAZOPYRIDINES CELLCENTRIC LTD (GB) 2018-04-19 US disclosed
US-20180105519-A1 ISOXAZOLYL SUBSTITUTED IMIDAZOPYRIDINES CELLCENTRIC LTD (GB) 2018-04-19 US disclosed
US-20180105519-A1 ISOXAZOLYL SUBSTITUTED IMIDAZOPYRIDINES CELLCENTRIC LTD (GB) 2018-04-19 US disclosed
EP-3286188-A1 ISOXAZOLYL SUBSTITUTED IMIDAZOPYRIDINES Cellcentric Ltd (GB) 2018-02-28 EP disclosed
WO-2016170323-A1 ISOXAZOLYL SUBSTITUTED IMIDAZOPYRIDINES CELLCENTRIC LTD (GB) 2016-10-27 WO disclosed
WO-2016170323-A1 ISOXAZOLYL SUBSTITUTED IMIDAZOPYRIDINES CELLCENTRIC LTD (GB) 2016-10-27 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-20180105519-A1 ISOXAZOLYL SUBSTITUTED IMIDAZOPYRIDINES EP300, HDAC3, HDAC1 CYP1A2 2584/4885CYP3A4 1393/4885CLK4 3608/4885
US-10428065-B2 Isoxazolyl substituted imidazopyridines EP300, HDAC3, HDAC1 CYP1A2 2584/4885CYP3A4 1393/4885CLK4 3608/4885

“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.