SCHEMBL4298407

SCHEMBL4298407

CN1CCN=C1c1ccc(-c2cc(C(N)=O)on2)c(N2CCOCC2)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.34
POLB P06746 1/20 0.34
HTT P42858 1/20 0.34
HSD17B10 Q99714 1/20 0.34
GPR55 Q9Y2T6 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
RAF1 P04049 2/20 0.33
BRAF P15056 2/20 0.33
LRRK2 Q5S007 2/20 0.32
STK4 Q13043 1/20 0.32
STK3 Q13188 1/20 0.32
MOK Q9UQ07 1/20 0.32
CDC7 O00311 1/20 0.32
CDK9 P50750 1/20 0.32
PDK1 Q15118 1/20 0.32
AOC3 Q16853 2/20 0.32
PIK3CB P42338 1/20 0.32
F10 P00742 3/20 0.31
PIK3CA P42336 2/20 0.31

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
SCHEMBL3988675 0.83 F10 (0.39) F10
SCHEMBL4298416 0.82 NOTUM (0.37) MTOR
SCHEMBL3989660 0.82 RAB9A (0.34) F10F2
SCHEMBL3989740 0.81 F10 (0.34) KMT2AF10MTORF2
SCHEMBL3988668 0.81 PDE4A (0.40) F10F2
SCHEMBL3984245 0.81 RAB9A (0.42) LMNAPOLBKMT2AF10
SCHEMBL3983056 0.79 MKNK1 (0.38) F10F2MKNK1MKNK2
SCHEMBL3982899 0.79 S1PR1 (0.37) F10F2MKNK1MKNK2
SCHEMBL3984224 0.78 F10 (0.42) F10F2
SCHEMBL3984047 0.77 KDM4E (0.41) LMNAHSD17B10MEN1KMT2APIK3CA

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 LMNA 1320/4885POLB 3327/4885HTT 2113/4885
US-20090298806-A1 FACTOR XA INHIBITORS TFPI, F12, F11 LMNA 734/4885POLB 3172/4885HTT 3109/4885
US-20120178733-A1 FACTOR XA INHIBITORS TFPI, F12, F11 LMNA 734/4885POLB 3172/4885HTT 3109/4885

“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.