SCHEMBL3044409

SCHEMBL3044409

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

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.47
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
HCRTR2 O43614 1/20 0.39
LMNA P02545 2/20 0.39
MAPT P10636 1/20 0.39
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
ATM Q13315 1/20 0.36
TSHR P16473 1/20 0.36
TP53 P04637 1/20 0.35
ALDH1A1 P00352 3/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
POLB P06746 1/20 0.35
HTT P42858 1/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35
L3MBTL1 Q9Y468 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
SCHEMBL3051108 0.91 SMN1; SMN2 (0.48) SMN1; SMN2MEN1KMT2ALMNAATM
SCHEMBL3049486 0.88 SMN1; SMN2 (0.43) SMN1; SMN2MEN1KMT2ALMNAATM
SCHEMBL2769852 0.85 SMN1; SMN2 (0.49) SMN1; SMN2MEN1KMT2ALMNAMAPT
SCHEMBL3055825 0.85 SMN1; SMN2 (0.44) SMN1; SMN2MEN1KMT2ALMNAMAPT
SCHEMBL1773775 0.85 SMN1; SMN2 (0.51) SMN1; SMN2HCRTR2LMNAMAPTCYP2C9
SCHEMBL3046218 0.82 POLB (0.47) SMN1; SMN2MEN1KMT2AHCRTR2LMNA
SCHEMBL8399243 0.81 SMN1; SMN2 (0.51) SMN1; SMN2MEN1KMT2AHCRTR2LMNA
SCHEMBL3044572 0.80 SMN1; SMN2 (0.43) SMN1; SMN2MEN1KMT2ALMNAMAPT
SCHEMBL3044977 0.79 SMN1; SMN2 (0.39) SMN1; SMN2MEN1KMT2AMAPTCYP2C9
SCHEMBL3049606 0.78 SMN1; SMN2 (0.42) SMN1; SMN2MEN1KMT2ALMNAMAPT

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 2217/4885MEN1 678/4885KMT2A 3053/4885

“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.