Sugi Predict

Sugi Predict / Compounds / SCHEMBL9972883

SCHEMBL9972883

SCHEMBL9972883

CC(C)c1c2c(=O)n(C)c(=O)n(C)c2nn1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.46
▸ RXFP1 Q9HBX9 1/20 0.46
▸ ADORA2A P29274 5/20 0.43
▸ KDM4E B2RXH2 2/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ ADORA2B P29275 3/20 0.38
▸ PIK3CD O00329 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ ADORA3 P0DMS8 1/20 0.37
▸ CNR1 P21554 1/20 0.37
▸ ACHE P22303 1/20 0.37
▸ ADORA1 P30542 1/20 0.37
▸ NTSR1 P30989 1/20 0.37
▸ MC3R P41968 1/20 0.37
▸ NOTUM Q6P988 1/20 0.37
▸ SIRT3 Q9NTG7 1/20 0.37
▸ GDA Q9Y2T3 1/20 0.37
▸ NR2E1 Q9Y466 1/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL611895 0.82 ADORA2A (0.38) KMT2ARXFP1ADORA2AKDM4EMAPK1
SCHEMBL611050 0.75 ADORA2A (0.47) KMT2ARXFP1ADORA2AKDM4EADORA2B
SCHEMBL17636236 0.73 ADORA2A (0.46) KMT2AADORA2AKDM4EADORA2BPIK3CD
SCHEMBL11430902 0.71 KMT2A (0.44) KMT2ARXFP1ADORA2AKDM4EMAPK1
SCHEMBL15472439 0.70 ADORA2A (0.43) KMT2ARXFP1ADORA2AKDM4EADORA2B
SCHEMBL9972887 0.69 MAPK8 (0.38) KMT2ARXFP1ADORA2AKDM4EMAPK1
SCHEMBL9972908 0.68 KMT2A (0.44) KMT2ARXFP1ADORA2AKDM4EMAPK1
SCHEMBL9972909 0.66 LMNA (0.48) KMT2ARXFP1ADORA2AADORA2BPIK3CD
SCHEMBL479922 0.66 KDM4E (0.42) KMT2ARXFP1ADORA2AKDM4EADORA2B
SCHEMBL479921 0.66 TRPA1 (0.44) KMT2AADORA2AKDM4EADORA2BALDH1A1

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 KMT2A 2406/4885RXFP1 795/4885ADORA2A 81/4885
US-20140045865-A1 2-AMINO-4-ARYLTHIAZOLE COMPOUNDS AS TRPA1 ANTAGONISTS TRPA1, TRPV1, TRPV2 KMT2A 2625/4885RXFP1 844/4885ADORA2A 63/4885
US-20140051667-A1 2-AMINO-4-ARYLTHIAZOLE COMPOUNDS AS TRPA1 ANTAGONISTS TRPA1, TRPV1, TRPV2 KMT2A 2625/4885RXFP1 844/4885ADORA2A 63/4885

“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.