Sugi Predict

Sugi Predict / Compounds / SCHEMBL9972876

SCHEMBL9972876

SCHEMBL9972876

Cn1c(=O)c2c(C(C)(C)C)onc2n(C)c1=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.37
▸ ADORA2A P29274 5/20 0.37
▸ ADORA2B P29275 3/20 0.35
▸ PIK3CD O00329 2/20 0.35
▸ ADORA3 P0DMS8 2/20 0.35
▸ ADORA1 P30542 2/20 0.35
▸ POLB P06746 1/20 0.35
▸ CNR1 P21554 1/20 0.35
▸ ACHE P22303 1/20 0.35
▸ NTSR1 P30989 1/20 0.35
▸ MC3R P41968 1/20 0.35
▸ NOTUM Q6P988 1/20 0.35
▸ SIRT3 Q9NTG7 1/20 0.35
▸ GDA Q9Y2T3 1/20 0.35
▸ NR2E1 Q9Y466 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ KMT2A Q03164 2/20 0.34
▸ ATAD2 Q6PL18 1/20 0.34
▸ ABCC8 Q09428 1/20 0.34
▸ KCNJ11 Q14654 1/20 0.34

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
SCHEMBL10933111 0.77 KDM4E (0.44) KDM4EADORA2AADORA2BPIK3CDADORA3
SCHEMBL11009129 0.75 ATAD2 (0.40) KDM4EADORA2AADORA2BPIK3CDADORA3
SCHEMBL11430902 0.72 KMT2A (0.44) KDM4EADORA2AADORA2BPIK3CDADORA3
SCHEMBL11012528 0.72 KDM4E (0.37) KDM4EADORA2AADORA2BPIK3CDADORA3
SCHEMBL9972889 0.69 TSHR (0.32) KDM4EADORA2AADORA2BPIK3CDADORA3
SCHEMBL11011376 0.69 POLB (0.42) KDM4EADORA2AADORA2BPIK3CDADORA3
SCHEMBL11011504 0.69 TSHR (0.40) KDM4EPOLBHTTKMT2AALDH1A1
SCHEMBL15472439 0.68 ADORA2A (0.43) KDM4EADORA2AADORA2BPIK3CDADORA3
SCHEMBL11012339 0.68 ALDH1A1 (0.43) KDM4EPOLBHTTKMT2AALDH1A1
SCHEMBL11008275 0.68 ALDH1A1 (0.35) KDM4EADORA2AADORA2BPOLBHTT

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 KDM4E 4035/4885ADORA2A 81/4885ADORA2B 187/4885
US-20140045865-A1 2-AMINO-4-ARYLTHIAZOLE COMPOUNDS AS TRPA1 ANTAGONISTS TRPA1, TRPV1, TRPV2 KDM4E 4154/4885ADORA2A 63/4885ADORA2B 140/4885
US-20140051667-A1 2-AMINO-4-ARYLTHIAZOLE COMPOUNDS AS TRPA1 ANTAGONISTS TRPA1, TRPV1, TRPV2 KDM4E 4154/4885ADORA2A 63/4885ADORA2B 140/4885

“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.