SCHEMBL16729367

SCHEMBL16729367

CCn1c(C)c(C)c2cc(C(F)(F)F)ccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.44
PGR P06401 1/20 0.43
RAB9A P51151 1/20 0.42
PTGDR2 Q9Y5Y4 2/20 0.42
RORC P51449 2/20 0.41
RORA P35398 1/20 0.41
RORB Q92753 1/20 0.41
AKR1B1 P15121 1/20 0.41
PTGER4 P35408 1/20 0.41
KMT2A Q03164 5/20 0.41
MEN1 O00255 4/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 1/20 0.41
HPGD P15428 1/20 0.41
CYP2C19 P33261 1/20 0.41
HTT P42858 1/20 0.41
RECQL P46063 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TP53 P04637 1/20 0.40

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
SCHEMBL21304019 0.84 PGR (0.51) MAPTPGRPTGDR2RORCRORA
SCHEMBL16729412 0.78 KIF11 (0.51) MAPTPGRPTGDR2KMT2AMEN1
SCHEMBL16727186 0.78 MAPT (0.52) MAPTRAB9ARORCKMT2AMEN1
SCHEMBL13899931 0.75 PGR (0.44) MAPTPGRPTGDR2RORCRORA
SCHEMBL15899165 0.75 MAPT (0.60) MAPTRAB9ARORCKMT2AMEN1
SCHEMBL11290872 0.72 GRIK2 (0.68) MAPTRAB9APTGER4KMT2AMEN1
SCHEMBL16729368 0.72 PDE4A (0.46) RORCRORARORBPPARG
SCHEMBL23902746 0.70 PPARG (0.54) MAPTKDM4EALDH1A1HPGDTP53
SCHEMBL30364591 0.70 PPARG (0.54) MAPTKDM4EALDH1A1HPGDTP53
SCHEMBL18015724 0.70 KIF11 (0.50) MAPTPGRPTGDR2RORCRORA

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-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 MAPT 127/4885PGR 903/4885RAB9A 2071/4885

“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.