SCHEMBL3985686

SCHEMBL3985686

CN(C)C(=N)c1ccc(C2=NOC(C(N)=O)C2)c(OC2CCCC2)c1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 11/20 0.56
PDE4D Q08499 11/20 0.56
PDE4A P27815 10/20 0.56
PDE4C Q08493 10/20 0.56
ALDH1A1 P00352 1/20 0.39
MAPK14 Q16539 1/20 0.38
MIF P14174 2/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35

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
SCHEMBL3990066 0.99 PDE4D (0.55) PDE4BPDE4DPDE4APDE4CALDH1A1
SCHEMBL3986229 0.87 PDE4A (0.47) PDE4BPDE4DPDE4APDE4CALDH1A1
SCHEMBL3981768 0.84 CA1 (0.49) PDE4BPDE4DPDE4APDE4CALDH1A1
SCHEMBL3983926 0.84 PDE4A (0.39) PDE4BPDE4DPDE4APDE4CALDH1A1
SCHEMBL3980473 0.83 PDE4D (0.52) PDE4BPDE4DPDE4APDE4CALDH1A1
SCHEMBL3990048 0.83 PDE4D (0.52) PDE4BPDE4DPDE4APDE4CALDH1A1
SCHEMBL4277683 0.80 F10 (0.39) PDE4BPDE4DPDE4APDE4CMIF
SCHEMBL3983953 0.80 F10 (0.42) PDE4BPDE4DPDE4APDE4CALDH1A1
SCHEMBL3984206 0.79 F10 (0.43) PDE4BPDE4DPDE4APDE4CALDH1A1
SCHEMBL3986578 0.79 LMNA (0.41) PDE4BPDE4DPDE4APDE4CALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1893572-B1 FACTOR XA INHIBITORS MILLENNIUM PHARM INC (US) 2016-12-14 EP claimed
US-20090298806-A1 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. 2009-12-03 US claimed
EP-1893572-A2 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-03-05 EP claimed
US-20060100193-A1 5-Chloro-N-((1-(4-(2-oxopyridin-1(2H)-yl)phenyl)-1H-1,2,3-triazol-4-yl)methyl)thiophene-2-carboxamide; 5-Chloro-thiophene-2-carboxylic acid (3-p-tolyl-4,5-dihydro-isoxazol-5-ylmethyl)-amide; undesirable thrombosis inhibitor MILLENNIUM PHARMACEUTICALS, INC. (US) 2006-05-11 US claimed
WO-2006002099-A2 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2006-01-05 WO claimed
EP-1893572-B1 FACTOR XA INHIBITORS MILLENNIUM PHARM INC (US) 2016-12-14 EP disclosed
US-8377974-B2 Factor Xa inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-02-19 US disclosed
US-20120178733-A1 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. 2012-07-12 US disclosed
US-20090298806-A1 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. 2009-12-03 US disclosed
US-7521470-B2 Factor Xa inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-04-21 US disclosed
EP-1893572-A2 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-03-05 EP disclosed
US-20060100193-A1 5-Chloro-N-((1-(4-(2-oxopyridin-1(2H)-yl)phenyl)-1H-1,2,3-triazol-4-yl)methyl)thiophene-2-carboxamide; 5-Chloro-thiophene-2-carboxylic acid (3-p-tolyl-4,5-dihydro-isoxazol-5-ylmethyl)-amide; undesirable thrombosis inhibitor MILLENNIUM PHARMACEUTICALS, INC. (US) 2006-05-11 US disclosed
WO-2006002099-A2 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2006-01-05 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 (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-20060100193-A1 5-Chloro-N-((1-(4-(2-oxopyridin-1(2H)-yl)phenyl)-1H-1,2,3-triazol-4-yl)methyl)thiophene-2-carboxamide; 5-Chloro-thiophene-2-carboxylic acid (3-p-tolyl-4,5-dihydro-isoxazol-5-ylmethyl)-amide; undesirable thrombosis inhibitor TFPI, TFPI2, F12 PDE4B 1758/4885PDE4D 2165/4885PDE4A 2148/4885
US-20090298806-A1 FACTOR XA INHIBITORS TFPI, F12, F11 PDE4B 1477/4885PDE4D 2111/4885PDE4A 1639/4885
US-20120178733-A1 FACTOR XA INHIBITORS TFPI, F12, F11 PDE4B 1477/4885PDE4D 2111/4885PDE4A 1639/4885

“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.