SCHEMBL3044985

SCHEMBL3044985

CCOC(=O)CCNc1ccc(C2(C#N)CCC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
LMNA P02545 3/20 0.46
MAPT P10636 2/20 0.46
KDM4E B2RXH2 1/20 0.46
SMN1; SMN2 Q16637 5/20 0.44
NPC1 O15118 4/20 0.44
RAB9A P51151 4/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
POLB P06746 2/20 0.44
TP53 P04637 1/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
TOP2A P11388 1/20 0.39
RET P07949 1/20 0.38
MAP3K20 Q9NYL2 1/20 0.38
RIPK3 Q9Y572 1/20 0.38
KDR P35968 1/20 0.37
PDE4A P27815 1/20 0.35

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
SCHEMBL3049754 0.80 SMN1; SMN2 (0.44) ALDH1A1LMNAMAPTSMN1; SMN2MEN1
SCHEMBL31628430 0.76 ALDH1A1 (0.44) ALDH1A1LMNAMAPTKDM4ESMN1; SMN2
SCHEMBL9829525 0.74 MAPT (0.53) ALDH1A1LMNAMAPTSMN1; SMN2RAB9A
SCHEMBL3049606 0.74 SMN1; SMN2 (0.42) ALDH1A1LMNAMAPTKDM4ESMN1; SMN2
SCHEMBL11020358 0.73 TOP2A (0.50) ALDH1A1LMNAMAPTKDM4EKMT2A
SCHEMBL9830217 0.73 MAPT (0.55) ALDH1A1LMNAMAPTKDM4EMEN1
SCHEMBL29268072 0.73 CYP4Z1 (0.44) ALDH1A1LMNAMAPTKDM4ESMN1; SMN2
SCHEMBL3052374 0.73 POLB (0.44) ALDH1A1LMNAMAPTSMN1; SMN2NPC1
SCHEMBL3171431 0.72 POLB (0.51) ALDH1A1LMNAMAPTNPC1RAB9A
SCHEMBL13196370 0.72 TOP2A (0.49) ALDH1A1LMNAMAPTSMN1; SMN2POLB

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 61/4885LMNA 3838/4885MAPT 2605/4885

“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.