SCHEMBL20710479

SCHEMBL20710479

COC(=O)Cc1cccc(OCCN(C)c2nc(-c3cccnc3)nc3c2cnn3C)c1

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ GBA1 P04062 18/20 0.53
▸ PIK3CA P42336 1/20 0.47
▸ KDM4E B2RXH2 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ MAPK1 P28482 1/20 0.39

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
SCHEMBL20710475 0.90 GBA1 (0.49) GBA1PIK3CA
SCHEMBL20710486 0.86 GBA1 (0.72) GBA1
SCHEMBL20710482 0.86 GBA1 (0.58) GBA1ALDH1A1
SCHEMBL20710516 0.83 GBA1 (0.71) GBA1PIK3CA
SCHEMBL22403105 0.79 GBA1 (0.52) GBA1PIK3CAALDH1A1
SCHEMBL20710454 0.75 GBA1 (0.67) GBA1
SCHEMBL20710510 0.75 GBA1 (0.75) GBA1KDM4E
SCHEMBL22403072 0.74 GBA1 (0.76) GBA1
SCHEMBL20710433 0.74 GBA1 (0.67) GBA1
SCHEMBL20710461 0.73 GBA1 (0.69) 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 2/4885PIK3CA 509/4885KDM4E 3271/4885

“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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