SCHEMBL1106549

SCHEMBL1106549

CN(C)C(=N)c1ccc(-c2cc(CNC(=O)c3ccc(Cl)s3)on2)c(F)c1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.40
HPGD P15428 2/20 0.39
TSHR P16473 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
F10 P00742 10/20 0.38
POLB P06746 1/20 0.37
LMNA P02545 2/20 0.37
KDM4E B2RXH2 1/20 0.37
KCNH2 Q12809 1/20 0.37
HTT P42858 2/20 0.35
JAK2 O60674 1/20 0.35
ALDH1A1 P00352 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 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
SCHEMBL1096997 0.89 MAPK1 (0.40) MAPK1HPGDTSHRNPSR1F10
SCHEMBL1096563 0.88 MAPK1 (0.39) MAPK1HPGDTSHRNPSR1F10
SCHEMBL1096283 0.88 MAPK1 (0.39) MAPK1HPGDTSHRF10POLB
SCHEMBL1096592 0.86 F10 (0.39) MAPK1HPGDTSHRNPSR1F10
SCHEMBL1095509 0.86 POLB (0.50) MAPK1HPGDTSHRF10POLB
SCHEMBL8278824 0.85 MAPK1 (0.39) MAPK1HPGDTSHRF10POLB
SCHEMBL1095694 0.85 F10 (0.38) MAPK1HPGDTSHRNPSR1F10
SCHEMBL1096295 0.85 HPGD (0.39) MAPK1HPGDTSHRF10POLB
SCHEMBL1095807 0.84 F10 (0.44) TSHRF10LMNAKCNH2
SCHEMBL1096677 0.83 ALDH1A1 (0.42) MAPK1HPGDPOLBLMNAKDM4E

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 10 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 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-8153670-B2 Factor Xa inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-04-10 US disclosed
US-8153670-B2 Factor Xa inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-04-10 US disclosed
US-20090298806-A1 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. 2009-12-03 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
US-7521470-B2 Factor Xa inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-04-21 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 (2 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-20090298806-A1 FACTOR XA INHIBITORS TFPI, F12, F11 MAPK1 2929/4885HPGD 316/4885TSHR 2852/4885
US-20120178733-A1 FACTOR XA INHIBITORS TFPI, F12, F11 MAPK1 2929/4885HPGD 316/4885TSHR 2852/4885

“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.