Sugi Predict

Sugi Predict / Compounds / SCHEMBL9972887

SCHEMBL9972887

SCHEMBL9972887

CC(C)c1nn(C)c2c1c(=O)n(C)c(=O)n2C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK8 P45983 1/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ RXFP1 Q9HBX9 1/20 0.38
▸ ADORA2A P29274 4/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ MAPK1 P28482 2/20 0.32
▸ ATAD2 Q6PL18 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ ADORA2B P29275 3/20 0.31
▸ PIK3CD O00329 1/20 0.31
▸ ALPL P05186 1/20 0.31
▸ ADORA3 P0DMS8 1/20 0.31
▸ TMIGD3 P0DMS9 1/20 0.31
▸ PDE4A P27815 1/20 0.31
▸ ADORA1 P30542 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ PDE4B Q07343 1/20 0.31
▸ PDE4C Q08493 1/20 0.31
▸ PDE4D Q08499 1/20 0.31

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
SCHEMBL9972883 0.69 KMT2A (0.46) KMT2ARXFP1ADORA2AKDM4EL3MBTL1
SCHEMBL9972882 0.67 KMT2A (0.37) KMT2ARXFP1ADORA2AKDM4EMAPK1
SCHEMBL14754384 0.66 ALOX15 (0.38) KMT2AADORA2AKDM4EL3MBTL1PDE4A
SCHEMBL9972910 0.65 PIK3CD (0.41) KMT2ARXFP1KDM4EMAPK1TSHR
SCHEMBL12368444 0.63 LMNA (0.36) MAPK8
SCHEMBL22189190 0.62 KMT2A (0.54) KMT2ARXFP1ADORA2AKDM4EL3MBTL1
SCHEMBL611050 0.62 ADORA2A (0.47) KMT2ARXFP1ADORA2AKDM4EATAD2
SCHEMBL17636236 0.60 ADORA2A (0.46) KMT2AADORA2AKDM4EATAD2TSHR
SCHEMBL611895 0.60 ADORA2A (0.38) KMT2ARXFP1ADORA2AKDM4EMAPK1
SCHEMBL7083772 0.60 GSK3A (0.39) ADORA2AKDM4EL3MBTL1ATAD2ADORA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9073955-B2 2-amino-4-arylthiazole compounds as TRPA1 antagonists GLENMARK PHARMACEUTICALS, S.A. (CH) 2015-07-07 — — US disclosed
US-8889862-B2 2-amino-4-arylthiazole compounds as TRPA1 antagonists GLENMARK PHARMACEUTICALS, S.A. (CH) 2014-11-18 — — US disclosed
US-20140051667-A1 2-AMINO-4-ARYLTHIAZOLE COMPOUNDS AS TRPA1 ANTAGONISTS GLENMARK PHARMACEUTICALS, S.A. (CH) 2014-02-20 — — US disclosed
US-20140045865-A1 2-AMINO-4-ARYLTHIAZOLE COMPOUNDS AS TRPA1 ANTAGONISTS GLENMARK PHARMACEUTICALS, S.A. (CH) 2014-02-13 — — US disclosed
US-20120157411-A1 2-AMINO-4-ARYLTHIAZOLE COMPOUNDS AS TRPAI ANTAGONISTS GLENMARK PHARMACEUTICALS, S.A. (CH) 2012-06-21 — — 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 (3 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-20120157411-A1 2-AMINO-4-ARYLTHIAZOLE COMPOUNDS AS TRPAI ANTAGONISTS TRPA1, TRPV1, TRPV2 MAPK8 2324/4885KMT2A 2406/4885RXFP1 795/4885
US-20140045865-A1 2-AMINO-4-ARYLTHIAZOLE COMPOUNDS AS TRPA1 ANTAGONISTS TRPA1, TRPV1, TRPV2 MAPK8 2228/4885KMT2A 2625/4885RXFP1 844/4885
US-20140051667-A1 2-AMINO-4-ARYLTHIAZOLE COMPOUNDS AS TRPA1 ANTAGONISTS TRPA1, TRPV1, TRPV2 MAPK8 2228/4885KMT2A 2625/4885RXFP1 844/4885

“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.