Sugi Predict

Sugi Predict / Compounds / SCHEMBL1889093

SCHEMBL1889093

SCHEMBL1889093

NC(=O)N(S)c1cnccn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ MC4R P32245 1/20 0.47
▸ ADRA1A P35348 1/20 0.47
▸ MC3R P41968 1/20 0.47
▸ POLB P06746 1/20 0.41
▸ KDM4E B2RXH2 3/20 0.39
▸ NAPRT Q6XQN6 1/20 0.39
▸ HCAR2 Q8TDS4 1/20 0.39
▸ BAZ2B Q9UIF8 1/20 0.38
▸ HSP90AA1 P07900 1/20 0.35
▸ LMNA P02545 2/20 0.33
▸ SIRT3 Q9NTG7 2/20 0.33
▸ F7 P08709 1/20 0.33
▸ F3 P13726 1/20 0.33
▸ SARM1 Q6SZW1 1/20 0.33
▸ SIRT2 Q8IXJ6 1/20 0.33
▸ SIRT6 Q8N6T7 1/20 0.33
▸ SIRT1 Q96EB6 1/20 0.33
▸ SIRT5 Q9NXA8 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
SCHEMBL7257382 0.80 ADORA3 (0.50) ADORA3TSHRMC4RADRA1AMC3R
SCHEMBL27588145 0.78 ADORA3 (0.48) ADORA3TSHRMC4RADRA1AMC3R
SCHEMBL28519924 0.77 POLB (0.49) ADORA3TSHRMC4RADRA1AMC3R
SCHEMBL249335 0.73 KMT2A (0.42) TSHRPOLBKDM4ENAPRTLMNA
SCHEMBL2393239 0.72 CDK2 (0.41) LMNASIRT6
SCHEMBL15993719 0.72 P2RX7 (0.41) HSP90AA1SIRT3TDP1
SCHEMBL28798172 0.71 KDM4E (0.45) ADORA3TSHRMC4RADRA1AMC3R
SCHEMBL11471375 0.70 POLB (0.50) ADORA3TSHRMC4RADRA1AMC3R
SCHEMBL2861361 0.69 NPC1 (0.46) KDM4ETP53SMN1; SMN2NPC1RAB9A
SCHEMBL366007 0.69 P2RX7 (0.37) ADORA3TSHRMC4RADRA1AMC3R

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2157091-B1 Inhibitors of phosphatidylinositol 3-kinase NOVARTIS AG (CH) 2015-06-10 — — EP disclosed
US-20140329863-A1 NOVEL ANTIPRION COMPOUNDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-11-06 — — US disclosed
US-20130172349-A1 INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE NOVARTIS AG (CH) 2013-07-04 — — US disclosed
US-8404684-B2 Inhibitors of phosphatidylinositol 3-kinase NOVARTIS AG (CH) 2013-03-26 — — US disclosed
WO-2013033037-A2 NOVEL ANTIPRION COMPOUNDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-03-07 — — WO disclosed
US-8017608-B2 5-Phenylthiazole derivatives and their use as p13 kinase inhibitors NOVARTIS AG (CH) 2011-09-13 — — US disclosed
US-20110105535-A1 INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE NOVARTIS AG 2011-05-05 — — US disclosed
EP-2157091-A1 Inhibitors of phosphatidylinositol 3-kinase Novartis AG (CH) 2010-02-24 — — EP disclosed
EP-1622897-B1 INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE NOVARTIS AG (CH) 2009-10-14 — — EP disclosed
US-20090233938-A1 Thiazole derivatives as a2b antagonists NOVARTIS AG (CH) 2009-09-17 — — US disclosed
US-20060148822-A1 5-Phenylthiazole derivatives and their use as p13 kinase inhibitors NOVARTIS AG (CH) 2006-07-06 — — US disclosed
EP-1622897-A1 INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE Novartis AG (CH) 2006-02-08 — — EP disclosed
EP-1608647-A1 5-PHENYLTHIAZOLE DERIVATIVES AND THEIR USE AS P13 KINASE INHIBITORS Novartis AG (CH) 2005-12-28 — — EP disclosed
WO-2005070926-A1 THIAZOLE DERIVATIVES AS A2B ANTAGONISTS NOVARTIS AG (CH) 2005-08-04 — — WO disclosed
EP-1339711-B1 AMINOTHIAZOLES AND THEIR USE AS ADENOSINE RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 2005-07-27 — — EP disclosed
WO-2004096797-A1 INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE NOVARTIS AG (CH) 2004-11-11 — — WO disclosed
WO-2004078754-A1 5-PHENYLTHIAZOLE DERIVATIVES AND THEIR USE AS P13 KINASE INHIBITORS NOVARTIS AG (CH) 2004-09-16 — — WO disclosed
US-20040053982-A1 Aminothaizoles and their use as adenosine receptor antagonists NOVARTIS AG (CH) 2004-03-18 — — US disclosed
EP-1339711-A1 AMINOTHIAZOLES AND THEIR USE AS ADENOSINE RECEPTOR ANTAGONISTS Novartis AG (CH) 2003-09-03 — — EP disclosed
WO-2002042298-A1 AMINOTHIAZOLES AND THEIR USE AS ADENOSINE RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 2002-05-30 — — WO 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 (6 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-20040053982-A1 Aminothaizoles and their use as adenosine receptor antagonists ADORA1, ADORA3, HCAR1 ADORA3 2/4885TSHR 729/4885MC4R 1084/4885
US-20140329863-A1 NOVEL ANTIPRION COMPOUNDS PRNP, PSEN1, PSEN2 ADORA3 466/4885TSHR 4745/4885MC4R 3136/4885
US-20110105535-A1 INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE PIK3CA, PIK3CD, PIP4K2C ADORA3 1903/4885TSHR 1581/4885MC4R 1982/4885
US-20060148822-A1 5-Phenylthiazole derivatives and their use as p13 kinase inhibitors MAP3K13, AKT3, MAP3K3 ADORA3 723/4885TSHR 1064/4885MC4R 1410/4885
US-20090233938-A1 Thiazole derivatives as a2b antagonists ADORA2B, ADRA2B, AGTR2 ADORA3 27/4885TSHR 35/4885MC4R 829/4885
US-20130172349-A1 INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE PIK3CA, PIK3CD, PIP4K2C ADORA3 1903/4885TSHR 1581/4885MC4R 1982/4885

“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.