SCHEMBL3986367

SCHEMBL3986367

NC(=O)C1CC(c2ccc(Nc3ccncc3)cc2)=NO1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MIF P14174 3/20 0.48
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
APAF1 O14727 1/20 0.48
POLB P06746 1/20 0.48
GRK2 P25098 1/20 0.48
APOBEC3G Q9HC16 1/20 0.48
KMT2A Q03164 4/20 0.47
MAPK10 P53779 3/20 0.47
MEN1 O00255 2/20 0.47
LMNA P02545 1/20 0.46
MAPT P10636 2/20 0.46
KDM4E B2RXH2 1/20 0.46
GAA P10253 1/20 0.46
HSD17B10 Q99714 1/20 0.46
HTT P42858 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
PDE4A P27815 1/20 0.45

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
SCHEMBL3989190 0.88 CA1 (0.58) MIFCA1CA2APAF1POLB
SCHEMBL3986317 0.87 POLB (0.54) MIFCA1CA2APAF1POLB
SCHEMBL2674041 0.87 POLB (0.53) MIFCA1CA2APAF1POLB
SCHEMBL3990457 0.86 POLB (0.66) APAF1POLBGRK2APOBEC3GKMT2A
SCHEMBL3988733 0.86 LMNA (0.60) MIFCA1CA2APAF1POLB
SCHEMBL3986517 0.85 CA1 (0.43) MIFCA1CA2APAF1POLB
SCHEMBL3986580 0.84 KMT2A (0.47) MIFCA1CA2APAF1POLB
SCHEMBL3981684 0.84 CA1 (0.50) MIFCA1CA2APAF1POLB
SCHEMBL3984476 0.82 POLB (0.45) APAF1POLBGRK2APOBEC3GKMT2A
SCHEMBL3985538 0.81 KMT2A (0.49) MIFCA1CA2APAF1POLB

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 11 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
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
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 MIF 1572/4885CA1 412/4885CA2 348/4885
US-20090298806-A1 FACTOR XA INHIBITORS TFPI, F12, F11 MIF 997/4885CA1 246/4885CA2 698/4885
US-20120178733-A1 FACTOR XA INHIBITORS TFPI, F12, F11 MIF 997/4885CA1 246/4885CA2 698/4885

“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.