Sugi Predict

Sugi Predict / Compounds / SCHEMBL9972893

SCHEMBL9972893

SCHEMBL9972893

Cn1c(=O)c2c(C(C)(C)C)ccnc2n(C)c1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TAS2R14 Q9NYV8 2/20 0.43
▸ ABCC8 Q09428 1/20 0.41
▸ KCNJ11 Q14654 1/20 0.41
▸ PIK3CD O00329 2/20 0.40
▸ ADORA3 P0DMS8 2/20 0.40
▸ ADORA2A P29274 2/20 0.40
▸ ADORA2B P29275 2/20 0.40
▸ ADORA1 P30542 2/20 0.40
▸ POLB P06746 1/20 0.40
▸ CNR1 P21554 1/20 0.40
▸ ACHE P22303 1/20 0.40
▸ NTSR1 P30989 1/20 0.40
▸ MC3R P41968 1/20 0.40
▸ NOTUM Q6P988 1/20 0.40
▸ SIRT3 Q9NTG7 1/20 0.40
▸ GDA Q9Y2T3 1/20 0.40
▸ NR2E1 Q9Y466 1/20 0.40
▸ ALDH1A1 P00352 4/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ ATAD2 Q6PL18 1/20 0.39

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
SCHEMBL9039947 0.77 TAS2R14 (0.44) TAS2R14ABCC8KCNJ11PIK3CDADORA3
SCHEMBL9536256 0.77 TAS2R14 (0.45) TAS2R14PIK3CDADORA3ADORA2AADORA2B
SCHEMBL9039076 0.77 TAS2R14 (0.48) TAS2R14PIK3CDADORA3ADORA2AADORA2B
SCHEMBL9536102 0.77 TAS2R14 (0.45) TAS2R14PIK3CDADORA3ADORA2AADORA2B
SCHEMBL9039454 0.74 TAS2R14 (0.46) TAS2R14PIK3CDADORA3ADORA2AADORA2B
SCHEMBL9038372 0.74 TAS2R14 (0.46) TAS2R14PIK3CDADORA3ADORA2AADORA2B
SCHEMBL9972909 0.74 LMNA (0.48) TAS2R14PIK3CDADORA3ADORA2AADORA2B
SCHEMBL9039797 0.73 TAS2R14 (0.48) TAS2R14PIK3CDADORA3ADORA2AADORA2B
SCHEMBL9972896 0.71 PIK3CD (0.41) ABCC8KCNJ11PIK3CDALDH1A1KDM4E
SCHEMBL9037923 0.71 TAS2R14 (0.46) TAS2R14PIK3CDADORA3ADORA2AADORA2B

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 TAS2R14 438/4885ABCC8 738/4885KCNJ11 780/4885
US-20140045865-A1 2-AMINO-4-ARYLTHIAZOLE COMPOUNDS AS TRPA1 ANTAGONISTS TRPA1, TRPV1, TRPV2 TAS2R14 329/4885ABCC8 669/4885KCNJ11 615/4885
US-20140051667-A1 2-AMINO-4-ARYLTHIAZOLE COMPOUNDS AS TRPA1 ANTAGONISTS TRPA1, TRPV1, TRPV2 TAS2R14 329/4885ABCC8 669/4885KCNJ11 615/4885

“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.