SCHEMBL20710491

SCHEMBL20710491

CN(CCOc1ccccc1)c1cc(N2CC[C@@H](O)C2)nc(-c2cccnc2)n1

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ GBA1 P04062 13/20 0.51
▸ ROS1 P08922 3/20 0.42
▸ USP2 O75604 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ ABL1 P00519 1/20 0.38

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
SCHEMBL20710489 1.00 GBA1 (0.51) GBA1ROS1USP2ALDH1A1ABL1
SCHEMBL20710493 0.95 GBA1 (0.52) GBA1ROS1USP2ALDH1A1
SCHEMBL20710490 0.93 GBA1 (0.54) GBA1ROS1USP2ALDH1A1
SCHEMBL20710429 0.88 GBA1 (0.51) GBA1USP2ALDH1A1
SCHEMBL20710424 0.84 GBA1 (0.54) GBA1ROS1ALDH1A1
SCHEMBL28895049 0.84 ROS1 (0.44) GBA1ROS1ABL1
SCHEMBL28895045 0.84 ROS1 (0.44) GBA1ROS1ABL1
SCHEMBL30085410 0.84 ROS1 (0.44) GBA1ROS1ABL1
SCHEMBL22403212 0.79 GBA1 (0.52) GBA1USP2ALDH1A1
SCHEMBL20710506 0.79 GBA1 (0.65) GBA1USP2ALDH1A1

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 2/4885ROS1 3283/4885USP2 3633/4885

“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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