SCHEMBL20710506

SCHEMBL20710506

CN(CCOc1ccccc1)c1cc(-c2ccccc2)nc(-c2cccnc2)n1

nearest known ligand 0.65

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ GBA1 P04062 16/20 0.65
▸ MAPK1 P28482 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ CHRNB2 P17787 1/20 0.47
▸ CHRNA4 P43681 1/20 0.47
▸ USP2 O75604 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46

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
SCHEMBL20710471 0.98 GBA1 (0.65) GBA1MAPK1SMN1; SMN2CHRNB2CHRNA4
SCHEMBL20710518 0.89 GBA1 (0.62) GBA1MAPK1SMN1; SMN2CHRNB2CHRNA4
SCHEMBL22403212 0.82 GBA1 (0.52) GBA1MAPK1SMN1; SMN2USP2ALDH1A1
SCHEMBL20710424 0.81 GBA1 (0.54) GBA1MAPK1SMN1; SMN2ALDH1A1KMT2A
SCHEMBL20710490 0.81 GBA1 (0.54) GBA1USP2ALDH1A1
SCHEMBL20710493 0.80 GBA1 (0.52) GBA1USP2ALDH1A1
SCHEMBL22403117 0.79 GBA1 (1.00) GBA1
SCHEMBL20710535 0.77 GBA1 (0.80) GBA1
SCHEMBL20710511 0.77 GBA1 (0.80) GBA1
SCHEMBL20710440 0.76 GBA1 (0.94) GBA1

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-20200283444-A1 SUBSTITUTED FUSED PYRIMIDINE COMPOUNDS AND USES THEREOF NORTHWESTERN UNIVERSITY 2020-09-10 — — US disclosed
WO-2019027765-A1 SUBSTITUTED FUSED PYRIMIDINE COMPOUNDS AND USES THERE NORTHWESTERN UNIVERSITY (US) 2019-02-07 — — 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-20200283444-A1 SUBSTITUTED FUSED PYRIMIDINE COMPOUNDS AND USES THEREOF GBA3, GBA1, GBA2 GBA1 2/4885MAPK1 4091/4885SMN1; SMN2 94/4885

“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.

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