SCHEMBL3983301

SCHEMBL3983301

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

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.60
MAPK10 P53779 1/20 0.60
KMT2A Q03164 1/20 0.60
APAF1 O14727 1/20 0.55
POLB P06746 1/20 0.55
GRK2 P25098 1/20 0.55
APOBEC3G Q9HC16 1/20 0.55
MIF P14174 4/20 0.55
MAPK1 P28482 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
PDE4A P27815 1/20 0.53
PDE4B Q07343 1/20 0.53
PDE4C Q08493 1/20 0.53
PDE4D Q08499 1/20 0.53
F10 P00742 1/20 0.52
CA1 P00915 2/20 0.51
CA2 P00918 2/20 0.51
ALDH1A1 P00352 2/20 0.51
HTT P42858 2/20 0.51
MAPT P10636 1/20 0.51

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
SCHEMBL3981863 0.85 POLB (0.56) APAF1POLBGRK2APOBEC3GMIF
SCHEMBL3984062 0.84 CA1 (0.71) MEN1KMT2AAPAF1POLBGRK2
SCHEMBL3983985 0.84 POLB (0.55) MEN1KMT2AAPAF1POLBGRK2
SCHEMBL3989205 0.83 CA1 (0.69) MEN1KMT2AAPAF1POLBGRK2
SCHEMBL3981656 0.83 CYP1A2 (0.68) MEN1KMT2APOLBMIFSMN1; SMN2
SCHEMBL3986317 0.83 POLB (0.54) APAF1POLBGRK2APOBEC3GMIF
SCHEMBL2674041 0.82 POLB (0.53) APAF1POLBGRK2APOBEC3GMIF
SCHEMBL3979800 0.81 MIF (0.49) MEN1MAPK10KMT2AAPAF1POLB
SCHEMBL3986294 0.80 SMN1; SMN2 (0.62) MAPK10APAF1POLBGRK2APOBEC3G
SCHEMBL3987262 0.79 MIF (0.47) MEN1MAPK10KMT2AAPAF1POLB

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 MEN1 3908/4885MAPK10 4467/4885KMT2A 1515/4885
US-20090298806-A1 FACTOR XA INHIBITORS TFPI, F12, F11 MEN1 1740/4885MAPK10 3556/4885KMT2A 3673/4885
US-20120178733-A1 FACTOR XA INHIBITORS TFPI, F12, F11 MEN1 1740/4885MAPK10 3556/4885KMT2A 3673/4885

“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.