Sugi Predict

Sugi Predict / Compounds / SCHEMBL1853483

SCHEMBL1853483

SCHEMBL1853483

O=C([CH]c1cc2ccccc2[nH]1)C1NCCS1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2A6 P11509 1/20 0.44
▸ GRIN2D O15399 1/20 0.39
▸ GRIN3B O60391 1/20 0.39
▸ GRIN1 Q05586 1/20 0.39
▸ GRIN2A Q12879 1/20 0.39
▸ GRIN2B Q13224 1/20 0.39
▸ GRIN2C Q14957 1/20 0.39
▸ GRIN3A Q8TCU5 1/20 0.39
▸ MAPT P10636 2/20 0.38
▸ MAPK1 P28482 2/20 0.38
▸ IDO1 P14902 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ FLT3 P36888 1/20 0.38
▸ PTPN2 P17706 1/20 0.38
▸ PTPN1 P18031 1/20 0.38
▸ SIRT1 Q96EB6 1/20 0.38
▸ ATP6V1B1 P15313 1/20 0.38

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
SCHEMBL1856975 0.79 CYP2A6 (0.43) CYP2A6GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL1850975 0.71 CYP2A6 (0.61) CYP2A6GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL1854306 0.71 CYP2A6 (0.61) CYP2A6GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL1852230 0.70 SSTR4 (0.44) CYP2A6MAPTMAPK1IDO1NPSR1
SCHEMBL1177050 0.70 CYP2A6 (0.59) CYP2A6GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL1851525 0.67 CYP2A6 (0.56) CYP2A6GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL1855574 0.66 CYP2A6 (0.54) CYP2A6GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL1852398 0.66 CYP2A6 (0.54) CYP2A6GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL1851001 0.66 ATP6V1B1 (0.57) CYP2A6GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL1851838 0.66 CYP2A6 (0.50) CYP2A6GRIN2DGRIN3BGRIN1GRIN2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8242116-B2 Fused thiazole derivatives as kinase inhibitors UCB PHARMA S.A. (BE) 2012-08-14 — — US disclosed
EP-2035436-B1 FUSED THIAZOLE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA SA (BE) 2011-05-25 — — EP disclosed
US-20100137302-A1 Fused Thiazole Derivatives as Kinase Inhibitors UCB PHARMA S.A. (BE) 2010-06-03 — — US disclosed
WO-2009122148-A1 FUSED THIOPHENE AND THIAZOLE DERIVATIVES AS PI3K KINASE INHIBITORS UCB PHARMA S.A. (BE) 2009-10-08 — — WO disclosed
WO-2009071895-A1 FUSED THIAZOLE AND THIOPHENE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA S.A. (BE) 2009-06-11 — — WO disclosed
WO-2009071888-A1 PYRROLOTHIAZOLES AS PI3-KINASE INHIBITORS UCB PHARMA S.A. (BE) 2009-06-11 — — WO disclosed
WO-2009071890-A1 TRICYCLIC KINASE INHIBITORS UCB PHARMA S.A. (BE) 2009-06-11 — — WO disclosed
EP-2035436-A1 FUSED THIAZOLE DERIVATIVES AS KINASE INHIBITORS UCB Pharma S.A. (BE) 2009-03-18 — — EP disclosed
WO-2008001076-A1 FUSED THIAZOLE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA S.A. (BE) 2008-01-03 — — 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 (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-20100137302-A1 Fused Thiazole Derivatives as Kinase Inhibitors PI4KA, PDPK1, PIK3CA CYP2A6 2110/4885GRIN2D 1336/4885GRIN3B 1132/4885

“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.