SCHEMBL20710517

SCHEMBL20710517

CN(CCOc1ccccc1)c1cc(N2CCC(O)CC2)nc(Cl)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GBA1 P04062 1/20 0.46
▸ ALDH1A1 P00352 5/20 0.41
▸ LMNA P02545 3/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ HPGD P15428 2/20 0.40
▸ MCOLN3 Q8TDD5 1/20 0.40
▸ NLRP3 Q96P20 1/20 0.40
▸ RAB9A P51151 2/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ NAPEPLD Q6IQ20 4/20 0.36
▸ HTT P42858 2/20 0.35
▸ MAOB P27338 1/20 0.35
▸ HTR6 P50406 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ GLA P06280 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ SMPD3 Q9NY59 1/20 0.35
▸ TSHR P16473 1/20 0.35

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
SCHEMBL20710493 0.81 GBA1 (0.52) GBA1ALDH1A1CYP2D6MAOB
SCHEMBL20710491 0.76 GBA1 (0.51) GBA1ALDH1A1
SCHEMBL20710489 0.76 GBA1 (0.51) GBA1ALDH1A1
SCHEMBL20710429 0.72 GBA1 (0.51) GBA1ALDH1A1LMNAKDM4EHPGD
SCHEMBL24852361 0.72 SLC29A1 (0.39) ALDH1A1LMNAKDM4EMEN1KMT2A
SCHEMBL20710490 0.71 GBA1 (0.54) GBA1ALDH1A1
SCHEMBL3452044 0.69 KMT2A (0.51) ALDH1A1LMNAKDM4EHPGDRAB9A
SCHEMBL20710424 0.67 GBA1 (0.54) GBA1ALDH1A1LMNAKMT2AHTT
SCHEMBL3408829 0.67 KCNH2 (0.45) GBA1ALDH1A1LMNAKDM4EHPGD
SCHEMBL26604120 0.66 LMNA (0.45) LMNAMEN1KMT2ACYP2D6HTT

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 2/4885ALDH1A1 2789/4885LMNA 2112/4885

“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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