SCHEMBL3036382

SCHEMBL3036382

CCOC(=O)CCNc1ccc(C(C)(C)C)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.54
SMN1; SMN2 Q16637 4/20 0.54
LMNA P02545 2/20 0.54
POLB P06746 2/20 0.49
TOP2A P11388 1/20 0.47
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
TRPV1 Q8NER1 2/20 0.45
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
HTT P42858 2/20 0.43
NPC1 O15118 1/20 0.43
XBP1 P17861 1/20 0.43
MAPK1 P28482 1/20 0.43
RAB9A P51151 1/20 0.43
IDH1 O75874 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL3052074 0.86 POLB (0.45) MAPTSMN1; SMN2LMNAPOLBTOP2A
SCHEMBL28469887 0.86 CA1 (0.52) MAPTSMN1; SMN2LMNAPOLBCA1
SCHEMBL3052374 0.85 POLB (0.44) MAPTSMN1; SMN2LMNAPOLBTOP2A
SCHEMBL23310334 0.84 POLB (0.62) MAPTSMN1; SMN2LMNAPOLBCA1
SCHEMBL9829525 0.84 MAPT (0.53) MAPTSMN1; SMN2LMNAPOLBTOP2A
SCHEMBL28468138 0.83 CA1 (0.47) MAPTSMN1; SMN2LMNAPOLBCA1
SCHEMBL9937346 0.83 ALDH1A1 (0.59) MAPTSMN1; SMN2LMNACA1CA2
SCHEMBL9830217 0.83 MAPT (0.55) MAPTLMNAPOLBTOP2ATRPV1
SCHEMBL11020358 0.83 TOP2A (0.50) MAPTLMNAPOLBTOP2ACA1
SCHEMBL5714675 0.82 POLB (0.47) MAPTSMN1; SMN2LMNAPOLBTOP2A

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 MAPT 2605/4885SMN1; SMN2 2217/4885LMNA 3838/4885

“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.