SCHEMBL2988533

SCHEMBL2988533

Fc1ccc(Cc2sccc2CCN2CCCC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.45
SCN5A Q14524 1/20 0.43
SLC6A3 Q01959 1/20 0.42
MPO P05164 1/20 0.42
HRH3 Q9Y5N1 3/20 0.41
MBTD1 Q05BQ5 1/20 0.41
L3MBTL3 Q96JM7 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
LTA4H P09960 2/20 0.40
HTR2A P28223 2/20 0.39
HTR2C P28335 2/20 0.39
HTR7 P34969 2/20 0.39
HTR6 P50406 1/20 0.39
KCNH2 Q12809 2/20 0.39
KCNJ1 P48048 1/20 0.39
MAOA P21397 1/20 0.38

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
SCHEMBL2976063 0.76 PTGS1 (0.41) L3MBTL1
SCHEMBL23377646 0.75 HRH3 (0.68) SIGMAR1SCN5ASLC6A3HRH3MBTD1
SCHEMBL9629316 0.73 HRH3 (0.71) SIGMAR1SCN5ASLC6A3HRH3MBTD1
SCHEMBL2973548 0.72 HTR2A (0.45) SCN5ASLC6A3MPOHRH3HTR2A
SCHEMBL23377845 0.71 HRH3 (0.62) SIGMAR1SCN5ASLC6A3HRH3MBTD1
SCHEMBL5148788 0.69 PTGS1 (0.35) L3MBTL1
SCHEMBL2984087 0.69 HRH3 (0.46) SIGMAR1SLC6A3HRH3MBTD1L3MBTL3
SCHEMBL22813547 0.69 SCN5A (0.71) SIGMAR1SCN5ASLC6A3HRH3LTA4H
SCHEMBL6984190 0.67 SCN5A (0.74) SIGMAR1SCN5ASLC6A3HRH3LTA4H
SCHEMBL2985695 0.66 HPGD (0.34) L3MBTL1

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
EP-1831207-B1 AMINOPYRIMIDINE COMPOUNDS AS PLK INHIBITORS AMGEN INC (US) 2012-11-14 EP disclosed
US-7858785-B2 Aminopyrimidine compounds and methods of use AMGEN INC. (US) 2010-12-28 US disclosed
US-7786132-B2 Aminopyrimidine compounds and methods of use AMGEN INC. (US) 2010-08-31 US disclosed
US-20100010014-A1 AMINOPYRIMIDINE COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2010-01-14 US disclosed
US-20070185133-A1 Aminopyrimidine compounds and methods of use AMGEN, INC. (US) 2007-08-09 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 (2 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-20100010014-A1 AMINOPYRIMIDINE COMPOUNDS AND METHODS OF USE PLK1, TYMP, TK2 SIGMAR1 4591/4885SCN5A 4023/4885SLC6A3 3558/4885
US-20070185133-A1 Aminopyrimidine compounds and methods of use PLK1, TYMP, TK2 SIGMAR1 4591/4885SCN5A 4023/4885SLC6A3 3558/4885

“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.