SCHEMBL4940997

SCHEMBL4940997

CCOc1cc(/C=N/O)ccc1OC

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.64
AMY1A P0DUB6 2/20 0.62
PKM P14618 2/20 0.60
ALDH1A1 P00352 7/20 0.59
MEN1 O00255 4/20 0.59
KMT2A Q03164 4/20 0.59
CYP1A2 P05177 2/20 0.59
CYP3A4 P08684 2/20 0.59
CYP2C19 P33261 2/20 0.59
CYP2D6 P10635 1/20 0.59
CYP2C9 P11712 1/20 0.59
MAPK1 P28482 1/20 0.58
HSD17B10 Q99714 1/20 0.58
SMN1; SMN2 Q16637 5/20 0.57
NPC1 O15118 4/20 0.57
RAB9A P51151 4/20 0.57
NFKB1 P19838 2/20 0.57
NFKB2 Q00653 2/20 0.57
RELA Q04206 2/20 0.57
HTT P42858 2/20 0.54

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
SCHEMBL4941002 1.00 GAA (0.64) GAAAMY1APKMALDH1A1MEN1
SCHEMBL28969963 0.94 NPC1 (0.64) GAAAMY1APKMALDH1A1MEN1
SCHEMBL2165442 0.86 ALDH1A1 (0.65) GAAPKMALDH1A1MEN1KMT2A
SCHEMBL2165438 0.86 ALDH1A1 (0.65) GAAPKMALDH1A1MEN1KMT2A
SCHEMBL4345928 0.86 ALDH1A1 (0.65) GAAPKMALDH1A1MEN1KMT2A
SCHEMBL11982807 0.84 AMY1A (0.66) GAAAMY1AALDH1A1MEN1KMT2A
SCHEMBL12402287 0.82 GAA (0.62) GAAPKMALDH1A1MEN1KMT2A
SCHEMBL2571081 0.82 MEN1 (0.79) GAAPKMALDH1A1MEN1KMT2A
SCHEMBL7716888 0.82 MEN1 (0.79) GAAPKMALDH1A1MEN1KMT2A
SCHEMBL5248438 0.82 POLB (0.60) PKMALDH1A1MEN1KMT2ASMN1; SMN2

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
EP-1697356-B1 PYRIDO[2,3-D]PYRIMIDINE-2,4-DIAMINES AS PDE 2 INHIBITORS PFIZER PROD INC (US) 2008-02-27 EP disclosed
US-20070135457-A1 Pyrido[2,3-d]pyrimidine-2,4-diamines as pde2 inhibitors PFIZER INC. 2007-06-14 US disclosed
EP-1697356-A1 PYRIDO[2,3-D]PYRIMIDINE-2,4-DIAMINES AS PDE 2 INHIBITORS Pfizer Products Incorporated (US) 2006-09-06 EP disclosed
WO-2005061497-A1 PYRIDO[2,3-D]PYRIMIDINE-2,4-DIAMINES AS PDE 2 INHIBITORS PFIZER PRODUCTS INC. (US) 2005-07-07 WO 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-20070135457-A1 Pyrido[2,3-d]pyrimidine-2,4-diamines as pde2 inhibitors PDE12, PDE2A, PDE3A GAA 948/4885AMY1A 2134/4885PKM 423/4885

“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.