SCHEMBL2769852

SCHEMBL2769852

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.49
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
ALDH1A1 P00352 3/20 0.39
LMNA P02545 1/20 0.39
ATM Q13315 1/20 0.38
CFTR P13569 1/20 0.35
TP53 P04637 1/20 0.35
CYP4F2 P78329 1/20 0.35
CYP4A11 Q02928 1/20 0.35
MAPT P10636 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
HSD17B10 Q99714 2/20 0.34
TSHR P16473 1/20 0.34
NFKB1 P19838 1/20 0.34
HBB P68871 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34

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
SCHEMBL3044409 0.85 SMN1; SMN2 (0.47) SMN1; SMN2MEN1KMT2ANPC1RAB9A
SCHEMBL3051108 0.83 SMN1; SMN2 (0.48) SMN1; SMN2MEN1KMT2ANPC1RAB9A
SCHEMBL3046218 0.82 POLB (0.47) SMN1; SMN2MEN1KMT2AALDH1A1LMNA
SCHEMBL3055825 0.82 SMN1; SMN2 (0.44) SMN1; SMN2MEN1KMT2ANPC1RAB9A
SCHEMBL3044572 0.81 SMN1; SMN2 (0.43) SMN1; SMN2MEN1KMT2ANPC1RAB9A
SCHEMBL3049486 0.80 SMN1; SMN2 (0.43) SMN1; SMN2MEN1KMT2ANPC1RAB9A
SCHEMBL13196382 0.80 SMN1; SMN2 (0.49) SMN1; SMN2CFTRTP53CYP4F2CYP4A11
SCHEMBL3049606 0.79 SMN1; SMN2 (0.42) SMN1; SMN2MEN1KMT2ANPC1RAB9A
SCHEMBL3051141 0.77 SMN1; SMN2 (0.40) SMN1; SMN2MEN1KMT2AALDH1A1LMNA
SCHEMBL3712531 0.77 SMN1; SMN2 (0.40) SMN1; SMN2MEN1KMT2ANPC1RAB9A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010089685-A1 4-AMINO-7,8-DIHYDROPYRIDO[4,3-D]PYRIMIDIN-5(6H)-ONE DERIVATIVES PFIZER INC. (US) 2010-08-12 WO disclosed
WO-2010089685-A1 4-AMINO-7,8-DIHYDROPYRIDO[4,3-D]PYRIMIDIN-5(6H)-ONE DERIVATIVES PFIZER INC. (US) 2010-08-12 WO disclosed
US-20100197590-A1 4-AMINO-7,8-DIHYDROPYRIDO[4,3-d]PYRIMIDIN-5(6H)-ONE DERIVATIVES PFIZER INC 2010-08-05 US disclosed
US-20100197590-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-20100197590-A1 4-AMINO-7,8-DIHYDROPYRIDO[4,3-d]PYRIMIDIN-5(6H)-ONE DERIVATIVES CYP3A7, QDPR, DHFR SMN1; SMN2 1693/4885MEN1 275/4885KMT2A 3114/4885

“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.