SCHEMBL10067352

SCHEMBL10067352

COc1ccc2c(c1)c(C)cn2C(C)C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 2/20 0.58
PDE4B Q07343 2/20 0.51
PDE4D Q08499 2/20 0.51
KDM4E B2RXH2 2/20 0.47
GAA P10253 1/20 0.47
ADRB2 P07550 1/20 0.43
ATM Q13315 1/20 0.43
MAPT P10636 2/20 0.42
HTT P42858 2/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
KMT2A Q03164 1/20 0.42
HSD17B10 Q99714 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MTNR1A P48039 3/20 0.42
MTNR1B P49286 3/20 0.42
BCHE P06276 1/20 0.39
ACHE P22303 1/20 0.39
GRIK1 P39086 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
SCHEMBL12614442 0.83 HTR6 (0.58) HTR6PDE4BPDE4DKDM4EGAA
SCHEMBL2316115 0.82 HTR6 (0.57) HTR6PDE4BPDE4DKDM4EGAA
SCHEMBL28016394 0.78 HTR6 (0.53) HTR6PDE4BPDE4D
SCHEMBL1787498 0.78 ALDH1A1 (0.55) HTR6PDE4BPDE4DKDM4EGAA
SCHEMBL11088220 0.77 ADRB2 (0.58) HTR6KDM4EADRB2MAPTHTT
SCHEMBL3221418 0.77 ADRB2 (0.46) HTR6KDM4EGAAADRB2MAPT
SCHEMBL20787917 0.76 PTGDR2 (0.41) PDE4BPDE4DGAAMAPTMEN1
SCHEMBL25100759 0.74 HTR6 (0.62) HTR6KDM4EGAAHSD17B10MTNR1A
SCHEMBL10172215 0.74 PDE4B (0.49) HTR6PDE4BPDE4DKDM4EGAA
SCHEMBL19268262 0.73 KDM4E (0.60) HTR6KDM4EGAAATMMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
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
US-8148392-B2 2-indolyl imidazo [4,5-d] phenanthroline derivatives and their use in the treatment of cancer LORUS THERAPEUTICS INC. (CA) 2012-04-03 US disclosed
US-8148392-B2 2-indolyl imidazo [4,5-d] phenanthroline derivatives and their use in the treatment of cancer LORUS THERAPEUTICS INC. (CA) 2012-04-03 US disclosed
US-20100168417-A1 2-Indolyl Imidazo [4,5-d] Phenanthroline Derivatives and Their Use in the Treatment for Cancer APTOSE BIOSCIENCES INC. (CA) 2010-07-01 US disclosed
US-20100168417-A1 2-Indolyl Imidazo [4,5-d] Phenanthroline Derivatives and Their Use in the Treatment for Cancer APTOSE BIOSCIENCES INC. (CA) 2010-07-01 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 (2 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 HTR6 1142/4885PDE4B 1279/4885PDE4D 1008/4885
US-20100168417-A1 2-Indolyl Imidazo [4,5-d] Phenanthroline Derivatives and Their Use in the Treatment for Cancer FLI1, IKZF3, IKZF2 HTR6 2994/4885PDE4B 4430/4885PDE4D 4548/4885

“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.