SCHEMBL16729412

SCHEMBL16729412

Cc1c(C)n(C)c2ccc(C(F)(F)F)cc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 3/20 0.51
MAPT P10636 5/20 0.49
SRC P12931 1/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
ALDH1A1 P00352 2/20 0.39
MAPK1 P28482 1/20 0.39
PGR P06401 1/20 0.39
NR1H3 Q13133 1/20 0.39
CYP2C9 P11712 2/20 0.38
CYP1A2 P05177 2/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2C19 P33261 2/20 0.37
KDM4E B2RXH2 1/20 0.37
CYP2D6 P10635 1/20 0.37
HPGD P15428 1/20 0.37
PKM P14618 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.36
HSP90AA1 P07900 1/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL13383054 0.83 KIF11 (0.65) KIF11MAPTSRCMEN1KMT2A
SCHEMBL22031980 0.81 PGR (0.49) KIF11MAPTSRCMEN1KMT2A
SCHEMBL18015724 0.80 KIF11 (0.50) KIF11MAPTSRCMEN1KMT2A
SCHEMBL17968728 0.79 MEN1 (0.49) KIF11MAPTSRCMEN1KMT2A
SCHEMBL17968711 0.79 KIF11 (0.49) KIF11MAPTSRCMEN1KMT2A
SCHEMBL12354899 0.79 KIF11 (0.57) KIF11MAPTSRCMEN1KMT2A
SCHEMBL16729367 0.78 MAPT (0.44) MAPTMEN1KMT2AALDH1A1PGR
SCHEMBL21979038 0.78 PGR (0.46) KIF11MAPTSRCMEN1KMT2A
SCHEMBL4615149 0.78 SRC (0.47) KIF11MAPTSRCMEN1KMT2A
SCHEMBL18014737 0.78 KIF11 (0.48) KIF11MAPTSRCMEN1KMT2A

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 KIF11 4135/4885MAPT 127/4885SRC 3433/4885

“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.