SCHEMBL3981771

SCHEMBL3981771

COc1cc(C(=N)N(C)C)ccc1-c1cc(C(N)=O)on1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 1/20 0.40
MKNK2 Q9HBH9 1/20 0.40
F10 P00742 3/20 0.38
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MAPT P10636 5/20 0.35
CYP2C19 P33261 3/20 0.35
CYP1A2 P05177 2/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2C9 P11712 2/20 0.35
TSHR P16473 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
BACE1 P56817 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MAPK1 P28482 1/20 0.34
GAA P10253 1/20 0.34
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34

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
SCHEMBL3986288 0.90 CYP1A2 (0.42) RAB9ASMN1; SMN2MAPTCYP2C19CYP1A2
SCHEMBL3982396 0.88 F10 (0.37) F10RAB9ASMN1; SMN2CYP2C19CYP1A2
SCHEMBL3990032 0.88 MAPK1 (0.40) F10RAB9ASMN1; SMN2TSHRALDH1A1
SCHEMBL3990122 0.87 SMN1; SMN2 (0.41) F10RAB9ASMN1; SMN2MAPTCYP2C19
SCHEMBL3989082 0.84 SMN1; SMN2 (0.38) F10RAB9ASMN1; SMN2MAPTCYP2C19
SCHEMBL3979795 0.82 AR (0.39) RAB9ASMN1; SMN2CYP2C19CYP1A2HPGD
SCHEMBL3990327 0.81 SMN1; SMN2 (0.40) MKNK1MKNK2RAB9ASMN1; SMN2ALDH1A1
SCHEMBL3983068 0.80 SMN1; SMN2 (0.42) MKNK1MKNK2RAB9ASMN1; SMN2MAPT
SCHEMBL3985563 0.79 SMN1; SMN2 (0.51) RAB9ASMN1; SMN2MAPTCYP2C19CYP1A2
SCHEMBL3984173 0.77 F10 (0.44) F10SMN1; SMN2CYP2C19CYP1A2CYP3A4

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 MKNK1 3512/4885MKNK2 3410/4885F10 23/4885
US-20090298806-A1 FACTOR XA INHIBITORS TFPI, F12, F11 MKNK1 4374/4885MKNK2 4325/4885F10 8/4885
US-20120178733-A1 FACTOR XA INHIBITORS TFPI, F12, F11 MKNK1 4374/4885MKNK2 4325/4885F10 8/4885

“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.