SCHEMBL17927741

SCHEMBL17927741

NNC(=O)c1[nH]nc2c1CCC2

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HCAR2 Q8TDS4 2/20 0.39
▸ RAB9A P51151 4/20 0.38
▸ GAA P10253 4/20 0.37
▸ RXFP1 Q9HBX9 1/20 0.37
▸ KMT2A Q03164 2/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ NPC1 O15118 3/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ KDM4E B2RXH2 3/20 0.34
▸ TSHR P16473 2/20 0.34
▸ ALDH1A1 P00352 4/20 0.33
▸ MAPT P10636 3/20 0.33
▸ LMNA P02545 1/20 0.33
▸ MEN1 O00255 1/20 0.32
▸ ACHE P22303 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL16629830 0.83 BRD4 (0.42) HCAR2RAB9AGAARXFP1KMT2A
SCHEMBL16629837 0.78 HCAR2 (0.47) HCAR2GAAKMT2ACYP1A2KDM4E
SCHEMBL17883347 0.77 CCNA2 (0.43) HCAR2RAB9AGAAKMT2ANPC1
SCHEMBL12646066 0.77 TSHR (0.38) HCAR2GAARXFP1KMT2ACYP1A2
SCHEMBL17934690 0.76 HCAR2 (0.34) HCAR2RAB9AGAARXFP1KMT2A
Potassium Ion SCHEMBL17927721 0.75 L1CAM (0.34) HCAR2RAB9AGAARXFP1KMT2A
SCHEMBL1808017 0.74 KMT2A (0.47) HCAR2RAB9AGAAKMT2ACYP1A2
SCHEMBL12883189 0.72 GAA (0.45) HCAR2GAAKMT2ACYP1A2KDM4E
SCHEMBL22518545 0.72 HCAR2 (0.64) HCAR2RAB9AGAARXFP1KMT2A
SCHEMBL17927711 0.72 BRD4 (0.50) GAARXFP1KMT2ACYP1A2KDM4E

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-11111253-B2 6-aryl-7-substituted-3-(1H-pyrazol-5-yl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazines as inhibitors of the STAT3 pathway with anti-proliferative activity University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2021-09-07 — — US disclosed
US-20200339602-A1 6-aryl-7-substituted-3-(1H-pyrazol-5-yl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazines as Inhibitors of the STAT3 Pathway with Anti-Proliferative Activity UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2020-10-29 — — US disclosed
US-10618914-B2 6-aryl-7-substituted-3-(1H-pyrazol-5-yl)-7H-[1,2,4]triazolo[3,4-B][1,3,4]thiadiazines as inhibitors of the STAT3 pathway with anti-proliferative activity University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2020-04-14 — — US disclosed
US-20190100535-A1 6-ARYL-7-SUBSTITUTED-3-(1H-PYRAZOL-5-YL)-7H-[1,2,4]TRIAZOLO[3,4-B][1,3,4]THIADIAZINES AS INHIBITORS OF THE STAT3 PATHWAY WITH ANTI-PROLIFERATIVE ACTIVITY UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCTION (US) 2019-04-04 — — US disclosed
WO-2016115455-A2 6-ARYL-7-SUBSTITUTED-3-(1H-PYRAZOL-5-YL)-7H-[1,2,4]TRIAZOLO[3,4-B][1,3,4]THIADIAZINES AS INHIBITORS OF THE STAT3 PATHWAY WITH ANTI-PROLIFERATIVE ACTIVITY UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2016-07-21 — — 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 (4 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-11111253-B2 6-aryl-7-substituted-3-(1H-pyrazol-5-yl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazines as inhibitors of the STAT3 pathway with anti-proliferative activity STAT3, STAT1, STAT5A HCAR2 3589/4885RAB9A 3504/4885GAA 3417/4885
US-20200339602-A1 6-aryl-7-substituted-3-(1H-pyrazol-5-yl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazines as Inhibitors of the STAT3 Pathway with Anti-Proliferative Activity STAT3, STAT1, STAT5A HCAR2 3589/4885RAB9A 3504/4885GAA 3417/4885
US-20190100535-A1 6-ARYL-7-SUBSTITUTED-3-(1H-PYRAZOL-5-YL)-7H-[1,2,4]TRIAZOLO[3,4-B][1,3,4]THIADIAZINES AS INHIBITORS OF THE STAT3 PATHWAY WITH ANTI-PROLIFERATIVE ACTIVITY STAT3, STAT1, STAT5A HCAR2 3589/4885RAB9A 3504/4885GAA 3417/4885
US-10618914-B2 6-aryl-7-substituted-3-(1H-pyrazol-5-yl)-7H-[1,2,4]triazolo[3,4-B][1,3,4]thiadiazines as inhibitors of the STAT3 pathway with anti-proliferative activity STAT3, STAT1, STAT5A HCAR2 3589/4885RAB9A 3504/4885GAA 3417/4885

“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.

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