SCHEMBL3967529

SCHEMBL3967529

CCOC(=O)CC(Cl)(Cl)CC#N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 6/20 0.40
GAA P10253 2/20 0.40
TSHR P16473 1/20 0.40
MGAM O43451 1/20 0.40
SI P14410 1/20 0.40
MGAM2 Q2M2H8 1/20 0.40
TRPA1 O75762 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.36
CYP2C9 P11712 1/20 0.35
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
GSK3A P49840 1/20 0.33
GSK3B P49841 1/20 0.33
CYP1A2 P05177 1/20 0.33

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
SCHEMBL7936528 0.79 KMT2A (0.42) MEN1KMT2AALDH1A1GAATSHR
SCHEMBL10781696 0.78 KMT2A (0.44) MEN1KMT2AALDH1A1GAATSHR
SCHEMBL148782 0.76 GAA (0.46) ALDH1A1GAAMGAMSIMGAM2
SCHEMBL8820595 0.76 GAA (0.50) MEN1KMT2AALDH1A1GAATSHR
SCHEMBL10723443 0.75 GAA (0.44) ALDH1A1GAAMGAMSIMGAM2
SCHEMBL4288701 0.75 GAA (0.44) ALDH1A1GAATSHRMGAMSI
SCHEMBL181945 0.73 GAA (0.52) ALDH1A1GAATSHRMGAMSI
Methylene Chloride SCHEMBL3176439 0.73 GAA (0.43) ALDH1A1GAAMGAMSIMGAM2
SCHEMBL5864262 0.73 GAA (0.43) ALDH1A1GAAMGAMSIMGAM2
SCHEMBL12715665 0.72 GAA (0.46) MEN1KMT2AALDH1A1GAATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7501425-B1 Bicyclic pyrimidines and bicyclic 3,4-dihydropyprimidines as inhibitors of cellular proliferation WARNER LAMBERT COMPANY (US) 2009-03-10 US disclosed
EP-1080092-B1 BICYCLIC PYRIMIDINES AND BICYCLIC 3,4-DIHYDROPYRIMIDINES AS INHIBITORS OF CELLULAR PROLIFERATION WARNER LAMBERT CO (US) 2008-07-23 EP disclosed
EP-1801112-A1 Bicyclic pyrimidines and bicyclic 3,4-dihydropyrimidines as inhibitors of cellular proliferation Warner-Lambert Company LLC (US) 2007-06-27 EP disclosed
US-20040044012-A1 Bicyclic pyrimidines and bicyclic 3,4-dihydropyrimidines as inhibitors of cellular proliferation DOBRUSIN ELLEN MYRA (US) 2004-03-04 US disclosed
CN-1138778-C Bicyclic pyrimidines and bicyclic 3,4-dihydropyrimidine sas inhibitors of cellular proliferation ��ʲ 2004-02-18 CN disclosed
CN-1302301-A bicyclic pyrimidines and bicyclic 3, 4-dihydropyrimidine compounds useful as inhibitors of cell proliferation WARNER LAMBERT CO (US) 2001-07-04 CN disclosed
EP-1080092-A2 BICYCLIC PYRIMIDINES AND BICYCLIC 3,4-DIHYDROPYRIMIDINES AS INHIBITORS OF CELLULAR PROLIFERATION WARNER-LAMBERT COMPANY (US) 2001-03-07 EP disclosed
WO-1999061444-A2 BICYCLIC PYRIMIDINES AND BICYCLIC 3,4-DIHYDROPYRIMIDINES AS INHIBITORS OF CELLULAR PROLIFERATION WARNER-LAMBERT COMPANY (US) 1999-12-02 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-20040044012-A1 Bicyclic pyrimidines and bicyclic 3,4-dihydropyrimidines as inhibitors of cellular proliferation CCNI, CCNH, CCNA1 MEN1 4287/4885KMT2A 2878/4885ALDH1A1 2575/4885

“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.