SCHEMBL3049606

SCHEMBL3049606

CCOC(=O)CCN(C(=O)CC#N)c1ccc(C2(C#N)CCC2)cc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.42
ALDH1A1 P00352 5/20 0.35
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
LMNA P02545 3/20 0.35
MAPT P10636 2/20 0.35
KDM4E B2RXH2 1/20 0.35
NPC1 O15118 6/20 0.34
RAB9A P51151 6/20 0.34
POLB P06746 1/20 0.34
ATM Q13315 1/20 0.33
OPRM1 P35372 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
PARP1 P09874 1/20 0.33
DRD2 P14416 1/20 0.32
TP53 P04637 1/20 0.32
NFKB1 P19838 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32

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
SCHEMBL3051141 0.85 SMN1; SMN2 (0.40) SMN1; SMN2ALDH1A1MEN1KMT2ALMNA
SCHEMBL3712531 0.81 SMN1; SMN2 (0.40) SMN1; SMN2ALDH1A1MEN1KMT2ALMNA
SCHEMBL2769852 0.79 SMN1; SMN2 (0.49) SMN1; SMN2ALDH1A1MEN1KMT2ALMNA
SCHEMBL3044409 0.78 SMN1; SMN2 (0.47) SMN1; SMN2ALDH1A1MEN1KMT2ALMNA
SCHEMBL3051108 0.76 SMN1; SMN2 (0.48) SMN1; SMN2ALDH1A1MEN1KMT2ALMNA
SCHEMBL3055825 0.75 SMN1; SMN2 (0.44) SMN1; SMN2ALDH1A1MEN1KMT2ALMNA
SCHEMBL3046218 0.75 POLB (0.47) SMN1; SMN2ALDH1A1MEN1KMT2ALMNA
SCHEMBL3044572 0.74 SMN1; SMN2 (0.43) SMN1; SMN2ALDH1A1MEN1KMT2ALMNA
SCHEMBL3044985 0.74 ALDH1A1 (0.46) SMN1; SMN2ALDH1A1MEN1KMT2ALMNA
SCHEMBL3049486 0.73 SMN1; SMN2 (0.43) SMN1; SMN2ALDH1A1MEN1KMT2ALMNA

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 SMN1; SMN2 2217/4885ALDH1A1 61/4885MEN1 678/4885

“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.