SCHEMBL296438

SCHEMBL296438

CCOC(=O)C(=COC)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 4/20 0.50
GLO1 Q04760 1/20 0.50
ALDH1A1 P00352 4/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
CYP2D6 P10635 1/20 0.48
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
MAPT P10636 5/20 0.40
LMNA P02545 5/20 0.40
GAA P10253 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
PLIN1 O60240 1/20 0.40
POLB P06746 1/20 0.40
PLIN5 Q00G26 1/20 0.40
ABHD5 Q8WTS1 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
S1PR4 O95977 1/20 0.40
S1PR1 P21453 1/20 0.40

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
SCHEMBL214459 0.89 NPSR1 (0.56) NPSR1GLO1ALDH1A1SMN1; SMN2CYP2D6
SCHEMBL11742099 0.83 NPSR1 (0.50) NPSR1GLO1ALDH1A1SMN1; SMN2CYP2D6
SCHEMBL9048698 0.83 GLO1 (0.67) NPSR1GLO1ALDH1A1SMN1; SMN2CYP2D6
SCHEMBL28285733 0.83 GLO1 (0.67) NPSR1GLO1ALDH1A1SMN1; SMN2CYP2D6
SCHEMBL9048705 0.83 GLO1 (0.67) NPSR1GLO1ALDH1A1SMN1; SMN2CYP2D6
SCHEMBL23394794 0.83 NPSR1 (0.50) NPSR1GLO1ALDH1A1SMN1; SMN2CYP2D6
SCHEMBL12180594 0.83 NPSR1 (0.50) NPSR1GLO1ALDH1A1SMN1; SMN2CYP2D6
SCHEMBL1369380 0.83 NPSR1 (0.50) NPSR1GLO1ALDH1A1SMN1; SMN2CYP2D6
SCHEMBL11655592 0.82 NPSR1 (0.48) NPSR1GLO1ALDH1A1SMN1; SMN2CYP2D6
SCHEMBL11655595 0.82 NPSR1 (0.48) NPSR1GLO1ALDH1A1SMN1; SMN2CYP2D6

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2684874-B1 Fused bicyclic derivatives of 2,4-diaminopyrimidine as alk and C-met inhibitors CEPHALON INC (US) 2017-05-17 EP disclosed
EP-2150544-B1 MAPK/ERK KINASE INHIBITORS TAKEDA PHARMACEUTICAL (JP) 2016-01-13 EP disclosed
EP-2222647-B1 FUSED BICYCLIC DERIVATIVES OF 2,4-DIAMINOPYRIMIDINE AS ALK AND C-MET INHIBITORS CEPHALON INC (US) 2015-08-05 EP disclosed
EP-2684874-A1 Fused bicyclic derivatives of 2,4-diaminopyrimidine as alk and C-met inhibitors Cephalon, Inc. (US) 2014-01-15 EP disclosed
US-8552186-B2 Fused bicyclic derivatives of 2,4-diaminopyrimidine as ALK and c-MET inhibitors CEPHALON, INC. (US) 2013-10-08 US disclosed
US-20120165519-A1 Fused Bicyclic Derivatives of 2,4-Diaminopyrimidine as ALK and c-MET Inhibitors CEPHALON, INC. (US) 2012-06-28 US disclosed
US-8207328-B2 Lactosamine derivatives GLYCOM APS (DK) 2012-06-26 US disclosed
US-8148391-B2 Fused bicyclic derivatives of 2,4-diaminopyrimidine as ALK and c-Met inhibitors CEPHALON, INC. (US) 2012-04-03 US disclosed
EP-1996602-B8 NOVEL LACTOSAMINE DERIVATIVES GLYCOM AS (DK) 2012-03-14 EP disclosed
US-8063066-B2 MAPK/ERK kinase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-11-22 US disclosed
EP-1996602-A1 NOVEL LACTOSAMINE DERIVATIVES Glycom APS (DK) 2008-12-03 EP disclosed
WO-2008115890-A2 MAPK/ERK KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-09-25 WO disclosed
WO-2008051547-A1 FUSED BICYCLIC DERIVATIVES OF 2,4-DIAMINOPYRIMIDINE AS ALK AND C-MET INHIBITORS CEPHALON, INC. (US) 2008-05-02 WO disclosed
WO-2007104311-A1 NOVEL LACTOSAMINE DERIVATIVES GLYCOM APS (DK) 2007-09-20 WO disclosed
US-4665218-A Method for the preparation of alkoxymethylene compounds of acetic esters and substituted acetic esters DYNAMIT NOBEL AG (DE) 1987-05-12 US disclosed
US-4649220-A Method for performing organic reactions in silicone oils DYNAMIT NOBEL AG (DE) 1987-03-10 US disclosed
US-4109087-A CNS DEPRESSANTS, ANTIINFLAMMATORY AGENTS E. R. SQUIBB & SONS, INC. (US) 1978-08-22 US disclosed
US-4109091-A CNS DEPRESSANTS, ANTIINFLAMMATORY AGENTS E. R. SQUIBB & SONS, INC. (US) 1978-08-22 US disclosed
US-4072679-A CNS DEPRESSANTS, ANTIINFLAMMATORY AGENTS E. R. SQUIBB & SONS, INC. (US) 1978-02-07 US disclosed
US-4058553-A Method of preparing alkoxymethylenemalonic acid esters DYNAMIT NOBEL AKTIENGESELLSCHAFT (DT) 1977-11-15 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-20120165519-A1 Fused Bicyclic Derivatives of 2,4-Diaminopyrimidine as ALK and c-MET Inhibitors ALK, MET, RET NPSR1 3608/4885GLO1 2085/4885ALDH1A1 77/4885

“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.