SCHEMBL16727048

SCHEMBL16727048

COc1ccc(COc2cc(OC)cc(C(=O)O)n2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 2/20 0.55
▸ SMN1; SMN2 Q16637 2/20 0.55
▸ NPC1 O15118 1/20 0.55
▸ POLB P06746 1/20 0.55
▸ PDE2A O00408 1/20 0.50
▸ KDM4E B2RXH2 1/20 0.49
▸ ASPH Q12797 1/20 0.49
▸ RIOX2 Q8IUF8 1/20 0.49
▸ KDM8 Q8N371 1/20 0.49
▸ FFAR1 O14842 3/20 0.49
▸ PLA2G4B P0C869 1/20 0.49
▸ ADORA3 P0DMS8 1/20 0.47
▸ ADORA1 P30542 1/20 0.47
▸ TP53 P04637 1/20 0.47
▸ PKM P14618 1/20 0.47
▸ NFKB1 P19838 1/20 0.47
▸ NFKB2 Q00653 1/20 0.47
▸ RELA Q04206 1/20 0.47
▸ MRGPRX4 Q96LA9 1/20 0.47
▸ RXFP1 Q9HBX9 1/20 0.47

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
SCHEMBL12076388 0.84 RAB9A (0.68) RAB9ASMN1; SMN2NPC1POLBPDE2A
SCHEMBL987189 0.78 TDP1 (0.62) POLBKDM4EMCL1ALDH1A1MAPT
SCHEMBL30222045 0.78 P4HTM (0.75) RAB9ASMN1; SMN2NPC1POLBKDM4E
SCHEMBL10532890 0.78 KDM4E (0.55) RAB9ASMN1; SMN2NPC1POLBKDM4E
SCHEMBL16727045 0.77 PDE2A (0.55) RAB9ASMN1; SMN2NPC1POLBPDE2A
SCHEMBL31389252 0.76 ALOX15 (0.65) RAB9ASMN1; SMN2NPC1POLBKDM4E
SCHEMBL1257063 0.75 KDM4C (0.63) RAB9ASMN1; SMN2NPC1POLBFFAR1
SCHEMBL15294499 0.75 RAB9A (0.55) RAB9ASMN1; SMN2NPC1POLBPDE2A
SCHEMBL30350651 0.75 KDM4C (0.63) RAB9ASMN1; SMN2NPC1POLBFFAR1
SCHEMBL746177 0.75 TDP1 (0.55) KDM4EMCL1ALDH1A1MAPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2850083-B1 SUBSTITUTED 3,4-DIHYDRO-2H-PYRIDO[1,2-A]PYRAZINE-1,6-DIONE DERIVATIVES USEFUL FOR THE TREATMENT OF (INTER ALIA) ALZHEIMER'S DISEASE JANSSEN PHARMACEUTICALS INC (US) 2016-04-27 — — EP disclosed
US-9181245-B2 Substituted pyrido[1,2-a]pyrazines and substituted pyrido[1,2-a][1,4]diazepines for the treatment of (inter alia) Alzheimer's disease Janssen Pharmaceuticals, Inc. (US) 2015-11-10 — — US disclosed
US-20150141411-A1 SUBSTITUTED 3,4-DIHYDRO-2H-PYRIDO[1,2-A]PYRAZINE-1,6-DIONE DERIVATIVES USEFUL FOR THE TREATMENT OF (INTER ALIA) ALZHEIMER'S DISEASE CELLZOME LIMITED (GB) 2015-05-21 — — US 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-20150141411-A1 SUBSTITUTED 3,4-DIHYDRO-2H-PYRIDO[1,2-A]PYRAZINE-1,6-DIONE DERIVATIVES USEFUL FOR THE TREATMENT OF (INTER ALIA) ALZHEIMER'S DISEASE BACE1, PSEN1, BACE2 RAB9A 2071/4885SMN1; SMN2 2858/4885NPC1 1318/4885

“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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