SCHEMBL2018294

SCHEMBL2018294

CCC1(C(=O)O)CCC(=O)CC1c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
KDM1A O60341 7/20 0.40
MAOA P21397 7/20 0.40
MAOB P27338 7/20 0.40
MCL1 Q07820 1/20 0.36
RIPK1 Q13546 1/20 0.35
CYP2C19 P33261 2/20 0.35
MAPK1 P28482 1/20 0.35
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
MAPT P10636 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34

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
SCHEMBL2503657 0.88 RORC (0.40) GAASMN1; SMN2KDM1AMAPK1MEN1
SCHEMBL2508886 0.84 GAA (0.37) GAASMN1; SMN2MAOBNFKB1RELA
SCHEMBL2506855 0.83 ADORA2B (0.38) MCL1
SCHEMBL1943935 0.77 KDM1A (0.51) GAASMN1; SMN2KDM1AMAOAMAOB
SCHEMBL15767640 0.77 KDM1A (0.51) GAASMN1; SMN2KDM1AMAOAMAOB
SCHEMBL11700667 0.77 KDM1A (0.51) GAASMN1; SMN2KDM1AMAOAMAOB
SCHEMBL8676674 0.74 KDM1A (0.42) GAASMN1; SMN2KDM1AMAOAMAOB
SCHEMBL10629256 0.71 KDM1A (0.41) GAASMN1; SMN2KDM1AMAOAMAOB
SCHEMBL3024234 0.70 MAPT (0.40) GAASMN1; SMN2KDM1AMAOAMAOB
SCHEMBL9754878 0.69 KDM1A (0.46) GAASMN1; SMN2KDM1AMAOAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140243290-A1 Aminopyrimidines as SYK Inhibitors ALTMAN MICHAEL D (US) 2014-08-28 US disclosed
US-8759366-B2 Aminopyrimidines as SYK inhibitors MERCK SHARP & DOHME CORP. (US) 2014-06-24 US disclosed
US-8551984-B2 Aminopyrimidines as SYK inhibitors MERCK SHARP & DOHME CORP. (US) 2013-10-08 US disclosed
US-20120277192-A1 AMINOPYRIMIDINES AS SYK INHIBITORS MERCK SHARP & DOHME LLC 2012-11-01 US disclosed
US-20110245205-A1 AMINOPYRIMIDINES AS SYK INHIBITORS MERCK SHARP & DOHME LLC 2011-10-06 US disclosed
WO-2011075515-A1 AMINOPYRIMIDINES AS SYK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2011-06-23 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-20110245205-A1 AMINOPYRIMIDINES AS SYK INHIBITORS SYK, BTK, LCK GAA 1449/4885SMN1; SMN2 4226/4885KDM1A 694/4885
US-20140243290-A1 Aminopyrimidines as SYK Inhibitors SYK, BTK, LCK GAA 1449/4885SMN1; SMN2 4226/4885KDM1A 694/4885
US-20120277192-A1 AMINOPYRIMIDINES AS SYK INHIBITORS SYK, BTK, LCK GAA 1449/4885SMN1; SMN2 4226/4885KDM1A 694/4885

“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.