SCHEMBL3044572

SCHEMBL3044572

CCOC(=O)CCN(C(=O)CC#N)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.43
ALDH1A1 P00352 5/20 0.42
RAB9A P51151 3/20 0.42
LMNA P02545 3/20 0.42
NPC1 O15118 2/20 0.42
CETP P11597 3/20 0.37
TSHR P16473 2/20 0.37
HTT P42858 3/20 0.37
FNIP1 Q8TF40 1/20 0.37
FEM1B Q9UK73 1/20 0.37
KMT2A Q03164 2/20 0.36
TP53 P04637 1/20 0.36
MEN1 O00255 1/20 0.36
PGR P06401 1/20 0.36
ATM Q13315 1/20 0.36
HPGD P15428 1/20 0.36
MAPT P10636 3/20 0.35
MAPK1 P28482 1/20 0.35
HSD17B10 Q99714 2/20 0.35
NFKB1 P19838 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
SCHEMBL2769852 0.81 SMN1; SMN2 (0.49) SMN1; SMN2ALDH1A1RAB9ALMNANPC1
SCHEMBL3044409 0.80 SMN1; SMN2 (0.47) SMN1; SMN2ALDH1A1RAB9ALMNANPC1
SCHEMBL3051108 0.78 SMN1; SMN2 (0.48) SMN1; SMN2ALDH1A1RAB9ALMNANPC1
SCHEMBL3046218 0.77 POLB (0.47) SMN1; SMN2ALDH1A1LMNAHTTKMT2A
SCHEMBL3055825 0.77 SMN1; SMN2 (0.44) SMN1; SMN2ALDH1A1RAB9ALMNANPC1
SCHEMBL9832874 0.76 CETP (0.47) SMN1; SMN2ALDH1A1RAB9ALMNACETP
SCHEMBL3049486 0.75 SMN1; SMN2 (0.43) SMN1; SMN2ALDH1A1RAB9ALMNANPC1
SCHEMBL3049606 0.74 SMN1; SMN2 (0.42) SMN1; SMN2ALDH1A1RAB9ALMNANPC1
SCHEMBL2954708 0.74 CYP3A4 (0.42) SMN1; SMN2ALDH1A1RAB9ALMNACETP
SCHEMBL10407410 0.74 CETP (0.45) SMN1; SMN2ALDH1A1LMNACETPTSHR

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 61/4885RAB9A 421/4885

“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.