SCHEMBL3036428

SCHEMBL3036428

CC1(c2ccc(N)cc2)CCCO1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CYP19A1 P11511 8/20 0.36
LMNA P02545 1/20 0.33
CYP3A4 P08684 2/20 0.32
CYP17A1 P05093 1/20 0.32
CYP11A1 P05108 1/20 0.32
TBXAS1 P24557 1/20 0.32
PMP22 Q01453 1/20 0.32
PDE4D Q08499 1/20 0.32
PDE3A Q14432 1/20 0.32
NFKB1 P19838 1/20 0.32
BACE1 P56817 1/20 0.31
MAPT P10636 3/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
RXRA P19793 1/20 0.30
MITF O75030 1/20 0.30
GAA P10253 1/20 0.30
MAPK1 P28482 1/20 0.30

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
SCHEMBL9608820 0.80 HSD11B1 (0.40) ALDH1A1
SCHEMBL14614698 0.78 SLC5A1 (0.35) ALDH1A1LMNABACE1MAPTSMN1; SMN2
SCHEMBL6304758 0.77 ALDH1A1 (0.32) ALDH1A1CYP19A1CYP3A4CYP17A1SMN1; SMN2
SCHEMBL11465523 0.74 HSD11B1 (0.39)
SCHEMBL633244 0.74 L3MBTL1 (0.35) ALDH1A1L3MBTL1CYP3A4RXRAKDM4E
SCHEMBL1692246 0.73 SLC6A4 (0.41)
SCHEMBL21961580 0.73 SLC6A4 (0.45) ALDH1A1L3MBTL1CYP3A4BACE1
SCHEMBL24746458 0.73 NOS3 (0.35) ALDH1A1L3MBTL1CYP3A4
SCHEMBL3884112 0.71 CYP19A1 (0.40) ALDH1A1L3MBTL1CYP19A1LMNAMAPT
SCHEMBL4698997 0.70 BACE1 (0.39) BACE1

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-2393811-A1 4-AMINO-7,8-DIHYDROPYRIDO[4,3-D]PYRIMIDIN-5(6H)-ONE DERIVATIVES Pfizer Inc. (US) 2011-12-14 EP disclosed
WO-2010089686-A1 4-AMINO-7,8-DIHYDROPYRIDO[4,3-D]PYRIMIDIN-5(6H)-ONE DERIVATIVES PFIZER INC. (US) 2010-08-12 WO disclosed
US-20100197591-A1 4-AMINO-7,8-DIHYDROPYRIDO[4,3-d]PYRIMIDIN-5(6H)-ONE DERIVATIVES PFIZER INC 2010-08-05 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-20100197591-A1 4-AMINO-7,8-DIHYDROPYRIDO[4,3-d]PYRIMIDIN-5(6H)-ONE DERIVATIVES CDK7, DPYD, DHFR ALDH1A1 61/4885L3MBTL1 4369/4885CYP19A1 549/4885

“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.