SCHEMBL75782

SCHEMBL75782

O=C(Nc1ccc(N2CCOCC2=O)cc1)[C@H]1CCCN1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 2/20 0.53
PDGFRB P09619 2/20 0.53
FLT3 P36888 2/20 0.53
IKBKB O14920 1/20 0.53
KIT P10721 1/20 0.53
PDGFRA P16234 1/20 0.53
FLT1 P17948 1/20 0.53
RPS6KB1 P23443 1/20 0.53
JAK1 P23458 1/20 0.53
TYK2 P29597 1/20 0.53
FLT4 P35916 1/20 0.53
KDR P35968 1/20 0.53
JAK3 P52333 1/20 0.53
MAP3K9 P80192 1/20 0.53
PLK4 O00444 1/20 0.53
CIT O14578 1/20 0.53
GAK O14976 1/20 0.53
BUB1 O43683 1/20 0.53
ROCK2 O75116 1/20 0.53
PRKD3 O94806 1/20 0.53

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
SCHEMBL77416 1.00 JAK2 (0.53) JAK2PDGFRBFLT3IKBKBKIT
SCHEMBL75783 1.00 JAK2 (0.53) JAK2PDGFRBFLT3IKBKBKIT
Hydrochloric Acid SCHEMBL76142 0.99 JAK2 (0.52) JAK2PDGFRBFLT3IKBKBKIT
SCHEMBL76631 0.87 F10 (0.52) F10
SCHEMBL27628316 0.83 TSHR (0.53) JAK2PDGFRBFLT3IKBKBKIT
SCHEMBL4205111 0.83 F10 (0.48) F10
SCHEMBL4205141 0.83 F10 (0.48) F10
SCHEMBL4215208 0.83 F10 (0.48) F10
Hydrochloric Acid SCHEMBL4208890 0.82 F10 (0.47) F10
SCHEMBL76130 0.81 F10 (0.57) F10MAPTTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100256131-A1 CARBONYL COMPOUNDS TSAKLAKIDIS CHRISTOS 2010-10-07 US claimed
EP-1720844-B1 PYRROLIDINO-1,2-DICARBOXY-1-(PHENYLAMIDE)-2-(4-(3-OXO-MORPHOLINO-4-YL)-PHENYLAMIDE) DERIVATIVES AND RELATED COMPOUNDS FOR USE AS INHIBITORS OF COAGULATION FACTOR XA IN THE TREATMENT OF THROMBO-EMBOLIC DISEASES MERCK PATENT GMBH (DE) 2009-04-29 EP claimed
US-20060183739-A1 Carbonyl compounds MERCK PATENT GMBH (DE) 2006-08-17 US claimed
US-8129373-B2 Carbonyl compounds MERCK PATENT GMBH (DE) 2012-03-06 US disclosed
US-8129373-B2 Carbonyl compounds MERCK PATENT GMBH (DE) 2012-03-06 US disclosed
US-8129373-B2 Carbonyl compounds MERCK PATENT GMBH (DE) 2012-03-06 US disclosed
US-7906516-B2 Carbonyl compounds MERCK PATENT GMBH (DE) 2011-03-15 US disclosed
US-7906516-B2 Carbonyl compounds MERCK PATENT GMBH (DE) 2011-03-15 US disclosed
US-7906516-B2 Carbonyl compounds MERCK PATENT GMBH (DE) 2011-03-15 US disclosed
US-20100256131-A1 CARBONYL COMPOUNDS TSAKLAKIDIS CHRISTOS 2010-10-07 US disclosed
US-20100256131-A1 CARBONYL COMPOUNDS TSAKLAKIDIS CHRISTOS 2010-10-07 US disclosed
US-20100256131-A1 CARBONYL COMPOUNDS TSAKLAKIDIS CHRISTOS 2010-10-07 US disclosed
US-20080003214-A1 Medicaments Comprising Carbonyl Compounds, And The Use Thereof MERCK PATENT GMBH (DE) 2008-01-03 US disclosed
US-20080003214-A1 Medicaments Comprising Carbonyl Compounds, And The Use Thereof MERCK PATENT GMBH (DE) 2008-01-03 US disclosed
US-20060183739-A1 Carbonyl compounds MERCK PATENT GMBH (DE) 2006-08-17 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 (3 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-20100256131-A1 CARBONYL COMPOUNDS F2, F11, PDHX JAK2 599/4885PDGFRB 1430/4885FLT3 1662/4885
US-20080003214-A1 Medicaments Comprising Carbonyl Compounds, And The Use Thereof F2, PDHX, SDHB JAK2 263/4885PDGFRB 3084/4885FLT3 1250/4885
US-20060183739-A1 Carbonyl compounds F2, F11, PDHX JAK2 599/4885PDGFRB 1430/4885FLT3 1662/4885

“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.