Sugi Predict

Sugi Predict / Compounds / Purine

Purine

Purine

SCHEMBL9934575

CC(N)=O.c1ncc2nc[nH]c2n1

nearest known ligand 0.35

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GDA Q9Y2T3 1/20 0.35
▸ KDM4A O75164 1/20 0.35
▸ KDM4B O94953 1/20 0.35
▸ KDM5C P41229 1/20 0.35
▸ KDM4C Q9H3R0 1/20 0.35
▸ KDM5B Q9UGL1 1/20 0.35
▸ KDM3A Q9Y4C1 1/20 0.35
▸ SLC2A1 P11166 1/20 0.34
▸ QPCT Q16769 2/20 0.33
▸ QPCTL Q9NXS2 1/20 0.33
▸ HRH2 P25021 1/20 0.32
▸ HRH1 P35367 1/20 0.32
▸ HRH4 Q9H3N8 1/20 0.32
▸ HRH3 Q9Y5N1 1/20 0.32
▸ HDAC6 Q9UBN7 1/20 0.32
▸ MAPK1 P28482 1/20 0.31
▸ LMNA P02545 2/20 0.31
▸ TSHR P16473 2/20 0.31
▸ PAX8 Q06710 1/20 0.31
▸ KDM4E B2RXH2 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
Purine SCHEMBL6150950 0.91 KDM4A (0.34) GDAKDM4AKDM4BKDM5CKDM4C
Purine SCHEMBL3021752 0.87 KDM4A (0.36) KDM4AKDM4BKDM5CKDM4CKDM5B
Purine SCHEMBL3157 0.87 — —
Purine SCHEMBL6421376 0.87 KDM4A (0.38) KDM4AKDM4BKDM5CKDM4CKDM5B
Purine SCHEMBL29456595 0.87 — —
Purine SCHEMBL2120547 0.87 KDM4A (0.38) KDM4AKDM4BKDM5CKDM4CKDM5B
Purine SCHEMBL9161533 0.85 KDM4A (0.33) KDM4AKDM4BKDM5CKDM4CKDM5B
Purine SCHEMBL7787135 0.85 KDM4A (0.37) KDM4AKDM4BKDM5CKDM4CKDM5B
Purine SCHEMBL311318 0.85 KDM4A (0.37) KDM4AKDM4BKDM5CKDM4CKDM5B
Purine SCHEMBL5578775 0.85 KDM4A (0.37) KDM4AKDM4BKDM5CKDM4CKDM5B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2655377-B1 2-AMINO-4-ARYLTHIAZOLE COMPOUNDS AS TRPA1 ANTAGONISTS GLENMARK PHARMACEUTICALS SA (CH) 2016-03-30 — — EP disclosed
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-8592398-B2 2-amino-4-arylthiazole compounds as TRPA1 antagonists GLENMARK PHARMACEUTICALS, S.A. (CH) 2013-11-26 — — US disclosed
EP-2655377-A1 2-AMINO-4-ARYLTHIAZOLE COMPOUNDS AS TRPA1 ANTAGONISTS Glenmark Pharmaceuticals S.A. (CH) 2013-10-30 — — EP disclosed
WO-2012085662-A1 2-AMINO-4-ARYLTHIAZOLE COMPOUNDS AS TRPA1 ANTAGONISTS GLENMARK PHARMACEUTICALS S.A. (CH) 2012-06-28 — — WO 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 GDA 2660/4885KDM4A 3625/4885KDM4B 4530/4885
US-20140045865-A1 2-AMINO-4-ARYLTHIAZOLE COMPOUNDS AS TRPA1 ANTAGONISTS TRPA1, TRPV1, TRPV2 GDA 2925/4885KDM4A 3915/4885KDM4B 4552/4885
US-20140051667-A1 2-AMINO-4-ARYLTHIAZOLE COMPOUNDS AS TRPA1 ANTAGONISTS TRPA1, TRPV1, TRPV2 GDA 2925/4885KDM4A 3915/4885KDM4B 4552/4885

“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.