SCHEMBL20625047

SCHEMBL20625047

C(#Cc1cccc(-c2cncnc2)c1)c1ccncc1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 6/20 0.49
▸ CYP2A6 P11509 1/20 0.46
▸ ATM Q13315 1/20 0.44
▸ ASIC3 Q9UHC3 1/20 0.42
▸ BACE1 P56817 3/20 0.39
▸ KCNH2 Q12809 3/20 0.39
▸ COMT P21964 1/20 0.38
▸ PIK3CD O00329 1/20 0.37
▸ PIK3CA P42336 1/20 0.37
▸ MTOR P42345 1/20 0.37
▸ PIK3CG P48736 1/20 0.37
▸ PDK1 Q15118 1/20 0.37
▸ BACE2 Q9Y5Z0 1/20 0.37

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
SCHEMBL4324850 0.84 ASIC3 (0.53) GRM5ASIC3KCNH2COMTPIK3CD
SCHEMBL20625350 0.79 BACE1 (0.46) GRM5CYP2A6ATMASIC3BACE1
SCHEMBL20602041 0.79 BACE1 (0.47) GRM5CYP2A6ASIC3BACE1KCNH2
SCHEMBL4309708 0.79 CYP17A1 (0.53) GRM5ASIC3
SCHEMBL7921223 0.79 GRM5 (0.53) GRM5ASIC3
SCHEMBL4410475 0.79 GRM5 (0.52) GRM5PIK3CDPIK3CAMTORPIK3CG
SCHEMBL20603203 0.78 GRM5 (0.47) GRM5CYP2A6ATMBACE1KCNH2
SCHEMBL22025844 0.78 GRM5 (0.44) GRM5CYP2A6ATMBACE1KCNH2
SCHEMBL16108938 0.77 CYP2A6 (0.54) GRM5CYP2A6ASIC3COMT
SCHEMBL18890284 0.77 IDO1 (0.56) GRM5ATM

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-20200165225-A1 BACE1 INHIBITORS FOR TREATMENT OF ALZHEIMER'S DISEASE NANTBIO, INC. (US) 2020-05-28 — — US disclosed
WO-2019005297-A1 BACE1 INHIBITORS FOR TREATMENT OF ALZHEIMER'S DISEASE NANTBIO, INC. (US) 2019-01-03 — — 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-20200165225-A1 BACE1 INHIBITORS FOR TREATMENT OF ALZHEIMER'S DISEASE BACE1, BACE2, PSEN2 GRM5 297/4885CYP2A6 1586/4885ATM 2426/4885

“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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