SCHEMBL20710518

SCHEMBL20710518

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

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ GBA1 P04062 16/20 0.62
▸ MAPK1 P28482 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ CHRNB2 P17787 2/20 0.45
▸ CHRNA4 P43681 2/20 0.45
▸ USP2 O75604 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.45

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
SCHEMBL20710506 0.89 GBA1 (0.65) GBA1MAPK1SMN1; SMN2CHRNB2CHRNA4
SCHEMBL20710471 0.89 GBA1 (0.65) GBA1MAPK1SMN1; SMN2CHRNB2CHRNA4
SCHEMBL20710424 0.80 GBA1 (0.54) GBA1MAPK1SMN1; SMN2ALDH1A1
SCHEMBL20710490 0.80 GBA1 (0.54) GBA1USP2ALDH1A1
SCHEMBL20710493 0.78 GBA1 (0.52) GBA1USP2ALDH1A1
SCHEMBL22403212 0.78 GBA1 (0.52) GBA1MAPK1SMN1; SMN2USP2ALDH1A1
SCHEMBL22403117 0.77 GBA1 (1.00) GBA1
SCHEMBL20710511 0.75 GBA1 (0.80) GBA1
SCHEMBL20710535 0.75 GBA1 (0.80) GBA1
SCHEMBL20710440 0.74 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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