SCHEMBL6134009

SCHEMBL6134009

CSC(SC)=C(C(=O)c1ccc(F)cc1)c1ccc(=O)n(C(C)C)n1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35
MAPT P10636 3/20 0.34
HDAC6 Q9UBN7 1/20 0.33
TP53 P04637 1/20 0.32
ADORA2A P29274 1/20 0.32
ADORA1 P30542 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
LMNA P02545 2/20 0.31
MEN1 O00255 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
KMT2A Q03164 1/20 0.31
RET P07949 1/20 0.31
MDM2 Q00987 1/20 0.30
F2 P00734 1/20 0.30
PLAU P00749 1/20 0.30
ELANE P08246 1/20 0.30
HDAC1 Q13547 3/20 0.30

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
SCHEMBL6133710 0.75 CYP1A2 (0.35) CES2CES1MAPTADORA2AADORA1
SCHEMBL6133711 0.75 CYP1A2 (0.35) CES2CES1MAPTADORA2AADORA1
SCHEMBL6133928 0.71 ALDH1A1 (0.41) MAPTSMN1; SMN2LMNAMEN1KMT2A
SCHEMBL5152357 0.70 CES2 (0.43) CES2CES1MAPTTP53SMN1; SMN2
SCHEMBL6133315 0.69 RAB9A (0.46) HDAC6SMN1; SMN2MEN1KMT2A
SCHEMBL21384038 0.68 POLB (0.39) TP53HPGD
SCHEMBL14519394 0.68 LTA4H (0.54) CES2CES1MAPTSMN1; SMN2MEN1
SCHEMBL5149065 0.68 ADORA2A (0.34) CES2CES1MAPTHDAC6ADORA2A
SCHEMBL6539205 0.67 MAPT (0.44) CES2CES1MAPTTP53SMN1; SMN2
SCHEMBL6134547 0.65 CES2 (0.40) CES2CES1MAPTHDAC6HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050043315-A1 Aminopyrimidine compounds, processes for their preparation and pharmaceutical compositions containing them ASTELLAS PHARMA INC. (JP) 2005-02-24 US disclosed
WO-2003057689-A1 AMINOPYRIMIDINE COMPOUNDS, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-07-17 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 (1 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-20050043315-A1 Aminopyrimidine compounds, processes for their preparation and pharmaceutical compositions containing them ADORA2B, ADORA2A, ADORA1 CES2 4034/4885CES1 3947/4885MAPT 1622/4885

“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.