Sugi Predict

Sugi Predict / Compounds / Purine

Purine

Purine

SCHEMBL9934578

CC(N)=O.c1ncc2[nH]cnc2n1

nearest known ligand 0.41

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.41
▸ RXFP1 Q9HBX9 1/20 0.40
▸ TSHR P16473 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.37
▸ PARP1 P09874 1/20 0.36
▸ MKNK1 Q9BUB5 1/20 0.35
▸ BRAF P15056 1/20 0.35
▸ PI4KA P42356 2/20 0.34
▸ PI4K2B Q8TCG2 2/20 0.34
▸ PI4K2A Q9BTU6 2/20 0.34
▸ PI4KB Q9UBF8 2/20 0.34
▸ GDA Q9Y2T3 2/20 0.34
▸ LRRK2 Q5S007 2/20 0.34
▸ LMNA P02545 1/20 0.34
▸ DRD3 P35462 1/20 0.34
▸ XDH P47989 1/20 0.34
▸ AKT2 P31751 1/20 0.34
▸ MGMT P16455 1/20 0.33
▸ NTRK1 P04629 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33

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 SCHEMBL27414327 0.93 ALDH1A1 (0.43) ALDH1A1RXFP1TSHRKDM4EPARP1
Purine SCHEMBL20305126 0.90 ALDH1A1 (0.41) ALDH1A1RXFP1TSHRKDM4EPI4KA
Purine SCHEMBL28325655 0.89 ALDH1A1 (0.38) ALDH1A1RXFP1TSHRKDM4EPARP1
Purine SCHEMBL27575443 0.87 ALDH1A1 (0.42) ALDH1A1RXFP1TSHRKDM4EPI4KA
Purine SCHEMBL27595928 0.87 ALDH1A1 (0.47) ALDH1A1RXFP1KDM4EPI4KAPI4K2B
Purine SCHEMBL28127808 0.87 ALDH1A1 (0.39) ALDH1A1RXFP1TSHRKDM4EPARP1
Purine SCHEMBL28765759 0.86 ALDH1A1 (0.43) ALDH1A1RXFP1KDM4EPARP1MKNK1
Purine SCHEMBL29465224 0.86 ALDH1A1 (0.39) ALDH1A1RXFP1TSHRKDM4EBRAF
Purine SCHEMBL9161542 0.86 ALDH1A1 (0.43) ALDH1A1RXFP1KDM4EPARP1MKNK1
Purine SCHEMBL28905005 0.85 ALDH1A1 (0.46) ALDH1A1RXFP1KDM4EPI4KAPI4K2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106715430-B inhibition of transient receptor potential A1 ion channels 伊莱利利公司 2019-09-17 — — CN disclosed
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
CN-103261201-B 2-amino-4-arylthiazole compounds as TRPA1 antagonists GLENMARK PHARMACEUTICALS SA 2015-04-22 — — CN 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
CN-103261201-A 2-amino-4-arylthiazole compounds as TRPA1 antagonists GLENMARK PHARMACEUTICALS SA 2013-08-21 — — CN 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 ALDH1A1 914/4885RXFP1 795/4885TSHR 1094/4885
US-20140045865-A1 2-AMINO-4-ARYLTHIAZOLE COMPOUNDS AS TRPA1 ANTAGONISTS TRPA1, TRPV1, TRPV2 ALDH1A1 694/4885RXFP1 844/4885TSHR 1080/4885
US-20140051667-A1 2-AMINO-4-ARYLTHIAZOLE COMPOUNDS AS TRPA1 ANTAGONISTS TRPA1, TRPV1, TRPV2 ALDH1A1 694/4885RXFP1 844/4885TSHR 1080/4885

“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.