SCHEMBL4876295

SCHEMBL4876295

N#Cc1ccc(N2CCCC2)c2cccnc12

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.63
TLR8 Q9NR97 4/20 0.56
MAPT P10636 4/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
TNNI3 P19429 1/20 0.49
TNNT2 P45379 1/20 0.49
TNNC1 P63316 1/20 0.49
ALDH1A1 P00352 3/20 0.48
MAPK1 P28482 2/20 0.48
KDM4E B2RXH2 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
HRH1 P35367 1/20 0.47
HRH3 Q9Y5N1 1/20 0.47
KCNMA1 Q12791 2/20 0.47
TLR9 Q9NR96 4/20 0.46
TLR7 Q9NYK1 4/20 0.46
MITF O75030 1/20 0.46
HTT P42858 1/20 0.46
CNR2 P34972 1/20 0.44

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
SCHEMBL7320298 0.87 TLR8 (0.53) ARTLR8MAPK1L3MBTL1KCNMA1
SCHEMBL17840412 0.85 TLR8 (0.65) ARTLR8TLR9TLR7
SCHEMBL17840411 0.85 TLR8 (0.65) ARTLR8TLR9TLR7
SCHEMBL19957396 0.84 TLR8 (0.53) ARTLR8MAPTALDH1A1KDM4E
SCHEMBL23369715 0.83 TLR8 (0.52) ARTLR8MAPTSMN1; SMN2TNNI3
SCHEMBL18980105 0.82 TLR8 (0.53) ARTLR8KDM4EHRH1HRH3
SCHEMBL4879640 0.81 AR (0.53) ARTLR8MAPTSMN1; SMN2TNNI3
SCHEMBL18980772 0.81 TLR8 (0.50) ARTLR8KDM4EKCNMA1TLR9
SCHEMBL21795382 0.80 TLR8 (0.54) ARTLR8KDM4EHRH1HRH3
SCHEMBL21795290 0.80 TLR8 (0.54) ARTLR8KDM4ETLR9TLR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1756101-A2 ANDROGEN RECEPTOR MODULATORS AND METHOD OF TREATING DISEASE USING THE SAME Acadia Pharmaceuticals Inc. (US) 2007-02-28 EP claimed
US-20060014739-A1 Androgen receptor modulators and method of treating disease using the same ACADIA PHARMACEUTICALS INC. 2006-01-19 US claimed
WO-2005115361-A2 ANDROGEN RECEPTOR MODULATORS AND METHOD OF TREATING DISEASE USING THE SAME ACADIA PHARMACEUTICALS INC. (US) 2005-12-08 WO claimed
US-4933447-A FOR TREATMENT OF CARDIOVASCULAR DISORDERS SS PHARMACEUTICAL CO., LTD. (JP) 1990-06-12 US claimed
US-20080009489-A1 ANDROGEN RECEPTOR MODULATORS AND METHOD OF TREATING DISEASE USING THE SAME ACADIAN PHARMACEUTICALS, INC. (US) 2008-01-10 US disclosed
US-7268232-B2 Androgen receptor modulators and method of treating disease using the same ACADIA PHARMACEUTICALS INC. (US) 2007-09-11 US disclosed
EP-1756101-A2 ANDROGEN RECEPTOR MODULATORS AND METHOD OF TREATING DISEASE USING THE SAME Acadia Pharmaceuticals Inc. (US) 2007-02-28 EP disclosed
US-20070004679-A1 Androgen receptor modulators and methods of treating disease using the same ACADIA PHARMACEUTICALS INC. 2007-01-04 US disclosed
US-20060014739-A1 Androgen receptor modulators and method of treating disease using the same ACADIA PHARMACEUTICALS INC. 2006-01-19 US disclosed
WO-2005115361-A2 ANDROGEN RECEPTOR MODULATORS AND METHOD OF TREATING DISEASE USING THE SAME ACADIA PHARMACEUTICALS INC. (US) 2005-12-08 WO disclosed
US-4933447-A FOR TREATMENT OF CARDIOVASCULAR DISORDERS SS PHARMACEUTICAL CO., LTD. (JP) 1990-06-12 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-20060014739-A1 Androgen receptor modulators and method of treating disease using the same NR5A1, AR, CYP17A1 AR 2/4885TLR8 1728/4885MAPT 3702/4885
US-20070004679-A1 Androgen receptor modulators and methods of treating disease using the same NR5A1, AR, ESRRA AR 2/4885TLR8 1873/4885MAPT 3809/4885
US-20080009489-A1 ANDROGEN RECEPTOR MODULATORS AND METHOD OF TREATING DISEASE USING THE SAME NR5A1, AR, CYP17A1 AR 2/4885TLR8 1728/4885MAPT 3702/4885

“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.