Sugi Predict

Sugi Predict / Compounds / SCHEMBL9972895

SCHEMBL9972895

SCHEMBL9972895

Cc1nnc(C(C)(C)C)c2c(=O)n(C)c(=O)n(C)c12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ THRB P10828 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ LMNA P02545 2/20 0.32
▸ JAK2 O60674 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ PAX8 Q06710 1/20 0.32
▸ MAPT P10636 3/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ POLB P06746 2/20 0.31
▸ ADORA2A P29274 2/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ PIK3CD O00329 1/20 0.31
▸ ADORA3 P0DMS8 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
SCHEMBL15472440 0.74 LMNA (0.38) KDM4EALDH1A1TP53MEN1KMT2A
SCHEMBL9972892 0.70 KDM4E (0.40) KDM4EALDH1A1KMT2ALMNAJAK2
SCHEMBL9972894 0.67 KDM4E (0.58) KDM4EALDH1A1TP53LMNAJAK2
SCHEMBL9972886 0.64 KDM4E (0.31) KDM4EALDH1A1MEN1KMT2A
SCHEMBL9972889 0.64 TSHR (0.32) KDM4EADORA2APIK3CDADORA3ADORA2B
SCHEMBL9972905 0.64 TRPA1 (0.32) KDM4EPOLBADORA2APIK3CDADORA3
SCHEMBL9972896 0.62 PIK3CD (0.41) KDM4EALDH1A1TP53KMT2ALMNA
SCHEMBL15472439 0.60 ADORA2A (0.43) KDM4EKMT2APOLBADORA2APIK3CD
SCHEMBL9972891 0.60 KDM4E (0.38) KDM4EALDH1A1KMT2APOLB
SCHEMBL10734125 0.60 ADORA2A (0.40) KDM4EALDH1A1KMT2ALMNAJAK2

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 4035/4885ALDH1A1 914/4885THRB 461/4885
US-20140045865-A1 2-AMINO-4-ARYLTHIAZOLE COMPOUNDS AS TRPA1 ANTAGONISTS TRPA1, TRPV1, TRPV2 KDM4E 4154/4885ALDH1A1 694/4885THRB 509/4885
US-20140051667-A1 2-AMINO-4-ARYLTHIAZOLE COMPOUNDS AS TRPA1 ANTAGONISTS TRPA1, TRPV1, TRPV2 KDM4E 4154/4885ALDH1A1 694/4885THRB 509/4885

“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.