SCHEMBL6134073

SCHEMBL6134073

COc1ccc(CC(=O)c2ccc(Cl)c(Cl)c2)nn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 1/20 0.45
MGAM O43451 1/20 0.44
AMY1A P0DUB6 1/20 0.44
GAA P10253 1/20 0.44
SI P14410 1/20 0.44
MGAM2 Q2M2H8 1/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
AGTR1 P30556 1/20 0.44
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
KMO O15229 3/20 0.42
HDAC3 O15379 2/20 0.42
HDAC4 P56524 2/20 0.42
HDAC1 Q13547 2/20 0.42
HDAC7 Q8WUI4 2/20 0.42
HDAC2 Q92769 2/20 0.42
HDAC10 Q969S8 2/20 0.42
HDAC11 Q96DB2 2/20 0.42
HDAC8 Q9BY41 2/20 0.42

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
SCHEMBL6133460 0.85 NPC1 (0.50) MGAMAMY1AGAASIMGAM2
SCHEMBL6133689 0.83 PDE4D (0.54) PDE4DGAAKDM4EALDH1A1SMN1; SMN2
SCHEMBL6135277 0.82 CES2 (0.41) PDE4DALDH1A1SMN1; SMN2NNMT
SCHEMBL5799347 0.81 NPC1 (0.48) ALDH1A1SMN1; SMN2TSHRNNMT
SCHEMBL6133543 0.81 NPC1 (0.54) MGAMAMY1AGAASIMGAM2
SCHEMBL6134224 0.80 HTT (0.52) PDE4DALDH1A1TSHR
SCHEMBL6133870 0.79 GSK3B (0.43) GAAKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL6134635 0.79 SMN1; SMN2 (0.44) KDM4EALDH1A1SMN1; SMN2NNMT
SCHEMBL6134151 0.79 NNMT (0.45) KDM4EALDH1A1HPGDSMN1; SMN2TSHR
SCHEMBL6134193 0.79 CTNNB1 (0.50) GAAKDM4EHPGDSMN1; SMN2HDAC8

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 PDE4D 926/4885MGAM 4766/4885AMY1A 2003/4885

“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.