SCHEMBL3986294

SCHEMBL3986294

N#Cc1ccc(C2=NOC(C(N)=O)C2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.62
ALDH1A1 P00352 1/20 0.62
MAPK10 P53779 1/20 0.62
POLB P06746 2/20 0.51
APAF1 O14727 1/20 0.51
GRK2 P25098 1/20 0.51
APOBEC3G Q9HC16 1/20 0.51
MIF P14174 4/20 0.48
CA1 P00915 3/20 0.48
CA2 P00918 3/20 0.48
PDE4A P27815 1/20 0.47
PDE4B Q07343 1/20 0.47
PDE4C Q08493 1/20 0.47
PDE4D Q08499 1/20 0.47
CYP1A2 P05177 2/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2C19 P33261 2/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
RAB9A P51151 2/20 0.44

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
SCHEMBL7668583 0.88 POLB (0.67) SMN1; SMN2ALDH1A1MAPK10POLBAPAF1
SCHEMBL7668426 0.83 MIF (0.71) SMN1; SMN2ALDH1A1MAPK10POLBMIF
SCHEMBL3981863 0.81 POLB (0.56) SMN1; SMN2POLBAPAF1GRK2APOBEC3G
SCHEMBL3983301 0.80 MEN1 (0.60) SMN1; SMN2ALDH1A1MAPK10POLBAPAF1
SCHEMBL3984062 0.80 CA1 (0.71) POLBAPAF1GRK2APOBEC3GMIF
SCHEMBL3983985 0.80 POLB (0.55) SMN1; SMN2POLBAPAF1GRK2APOBEC3G
SCHEMBL3989205 0.80 CA1 (0.69) SMN1; SMN2ALDH1A1POLBAPAF1GRK2
SCHEMBL3986317 0.79 POLB (0.54) SMN1; SMN2POLBAPAF1GRK2APOBEC3G
SCHEMBL2674041 0.78 POLB (0.53) SMN1; SMN2POLBAPAF1GRK2APOBEC3G
SCHEMBL3981656 0.77 CYP1A2 (0.68) SMN1; SMN2ALDH1A1POLBMIFPDE4A

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 SMN1; SMN2 4569/4885ALDH1A1 468/4885MAPK10 4467/4885
US-20090298806-A1 FACTOR XA INHIBITORS TFPI, F12, F11 SMN1; SMN2 4168/4885ALDH1A1 974/4885MAPK10 3556/4885
US-20120178733-A1 FACTOR XA INHIBITORS TFPI, F12, F11 SMN1; SMN2 4168/4885ALDH1A1 974/4885MAPK10 3556/4885

“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.