SCHEMBL4334870

SCHEMBL4334870

COc1ccc2c(c1)c(Br)cn2S(=O)(=O)c1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 18/20 0.65
HTR7 P34969 3/20 0.63
DRD2 P14416 3/20 0.63
HTR1A P08908 1/20 0.63
HTR1D P28221 1/20 0.63
HTR1B P28222 1/20 0.63
HTR1E P28566 1/20 0.63
HTR1F P30939 1/20 0.63
DRD3 P35462 1/20 0.63
HTR2A P28223 3/20 0.60
POLB P06746 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
PPARG P37231 1/20 0.55
PPARD Q03181 1/20 0.55
PPARA Q07869 1/20 0.55

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
SCHEMBL1888939 0.88 HTR6 (0.64) HTR6HTR7DRD2HTR1AHTR1D
SCHEMBL17927576 0.85 HTR6 (0.67) HTR6HTR7DRD2HTR1AHTR1D
SCHEMBL19737472 0.84 HTR6 (0.66) HTR6HTR7DRD2HTR1AHTR1D
SCHEMBL950573 0.84 HTR6 (0.75) HTR6HTR7DRD2HTR1AHTR1D
SCHEMBL12993885 0.82 HTR6 (0.63) HTR6HTR7DRD2HTR1AHTR1D
SCHEMBL950533 0.82 HTR6 (0.63) HTR6HTR7DRD2HTR1AHTR1D
SCHEMBL8501447 0.82 HTR6 (0.44) HTR6HTR7DRD2HTR1AHTR1D
SCHEMBL1996382 0.81 HTR6 (0.64) HTR6HTR7DRD2HTR1AHTR1D
SCHEMBL29651100 0.81 HTR6 (0.64) HTR6HTR7DRD2HTR1AHTR1D
Dimethylamine SCHEMBL21222407 0.81 HTR6 (0.65) HTR6HTR7DRD2HTR1AHTR1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10689342-B2 Aza-tanshinone derivatives, process for their preparation and their use in therapy UNIVERSITA' DEGLI STUDI DI TRENTO (IT) 2020-06-23 US disclosed
US-10689342-B2 Aza-tanshinone derivatives, process for their preparation and their use in therapy UNIVERSITA' DEGLI STUDI DI TRENTO (IT) 2020-06-23 US disclosed
US-20190241516-A1 AZA-TANSHINONE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE IN THERAPY UNIVERSITA' DEGLI STUDI DI TRENTO (IT) 2019-08-08 US disclosed
US-20190241516-A1 AZA-TANSHINONE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE IN THERAPY UNIVERSITA' DEGLI STUDI DI TRENTO (IT) 2019-08-08 US disclosed
WO-2017216732-A1 AZA-TANSHINONE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE IN THERAPY UNIVERSITA' DEGLI STUDI DI MILANO (IT) 2017-12-21 WO disclosed
US-7605168-B2 Phosphodiesterase 4; asthma, chronic obstructive pulmonary disease, Alzheimer's disease, diffuse large-cell B cell lymphoma, and chronic lymphocytic leukemia; 8-[3-(3,4-dimethoxy-phenyl)-pyrrolo[2,3-b]pyridine-1-sulfonyl]-quinoline PLEXXIKON, INC. (US) 2009-10-20 US disclosed
EP-1786813-A2 BICYCLIC HETEROARYL PDE4B INHIBITORS PLEXXIKON, INC. (US) 2007-05-23 EP disclosed
US-20060100218-A1 Phosphodiesterase 4; asthma, chronic obstructive pulmonary disease, Alzheimer's disease, diffuse large-cell B cell lymphoma, and chronic lymphocytic leukemia; 8-[3-(3,4-dimethoxy-phenyl)-pyrrolo[2,3-b]pyridine-1-sulfonyl]-quinoline PLEXXIKON, INC. 2006-05-11 US disclosed
WO-2006026754-A9 BICYCLIC HETEROARYL PDE4B INHIBITORS PLEXXIKON INC (US) 2006-04-20 WO disclosed
WO-2006026754-A2 BICYCLIC HETEROARYL PDE4B INHIBITORS PLEXXIKON, INC. (US) 2006-03-09 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 (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-20060100218-A1 Phosphodiesterase 4; asthma, chronic obstructive pulmonary disease, Alzheimer's disease, diffuse large-cell B cell lymphoma, and chronic lymphocytic leukemia; 8-[3-(3,4-dimethoxy-phenyl)-pyrrolo[2,3-b]pyridine-1-sulfonyl]-quinoline PDE4B, PDE4A, PDE4C HTR6 2439/4885HTR7 2362/4885DRD2 573/4885
US-20190241516-A1 AZA-TANSHINONE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE IN THERAPY AZI2, TPMT, TYMS HTR6 1922/4885HTR7 1603/4885DRD2 3039/4885
US-10689342-B2 Aza-tanshinone derivatives, process for their preparation and their use in therapy AZI2, TPMT, TYMS HTR6 1922/4885HTR7 1603/4885DRD2 3039/4885

“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.