SCHEMBL3089674

SCHEMBL3089674

CN1CCCN(c2ccc(-n3cc(CNC(=O)c4ccc(Cl)s4)cn3)cc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F10 P00742 10/20 0.51
KMT2A Q03164 2/20 0.44
LMNA P02545 2/20 0.44
MAPK1 P28482 1/20 0.44
ACE2 Q9BYF1 1/20 0.43
NCF1 P14598 1/20 0.41
AURKA O14965 1/20 0.41
CHKA P35790 1/20 0.40
KDM4E B2RXH2 1/20 0.40
DRD4 P21917 1/20 0.40
HTR2C P28335 1/20 0.40
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL3087805 0.85 MIF (0.55) F10KMT2ALMNAMAPK1CHKA
SCHEMBL1097324 0.81 HPGD (0.42) F10LMNAKDM4EHPGDTSHR
SCHEMBL3098386 0.80 HPGD (0.46) F10LMNAMAPK1KDM4EHPGD
SCHEMBL1098920 0.80 HPGD (0.42) F10LMNAKDM4EHPGDTSHR
SCHEMBL1095320 0.79 LMNA (0.39) F10KMT2ALMNAMAPK1KDM4E
SCHEMBL1096815 0.79 HPGD (0.41) F10LMNAKDM4EHPGDTSHR
SCHEMBL1096549 0.78 MIF (0.48) F10KMT2ALMNAMAPK1HPGD
SCHEMBL1159493 0.78 HPGD (0.43) F10LMNAMAPK1KDM4EHPGD
SCHEMBL1106573 0.78 HPGD (0.43) F10KMT2ALMNAMAPK1KDM4E
SCHEMBL1096413 0.77 MAPK1 (0.43) F10LMNAMAPK1KDM4EHPGD

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100234352-A1 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. 2010-09-16 US claimed
EP-2114928-A2 THIOPHENE CARBOXAMIDES AS FACTOR XA INHIBITORS Millennium Pharmaceuticals, Inc. (US) 2009-11-11 EP claimed
WO-2008086188-A2 THIOPHENE CARBOXAMIDES AS FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-07-17 WO claimed
US-20070185092-A1 FACTOR Xa INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-08-09 US claimed
US-20100234352-A1 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. 2010-09-16 US disclosed
US-20100234352-A1 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. 2010-09-16 US disclosed
US-20100234352-A1 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. 2010-09-16 US disclosed
US-7696352-B2 Factor Xa inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-04-13 US disclosed
EP-2114928-A2 THIOPHENE CARBOXAMIDES AS FACTOR XA INHIBITORS Millennium Pharmaceuticals, Inc. (US) 2009-11-11 EP disclosed
WO-2008086188-A2 THIOPHENE CARBOXAMIDES AS FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-07-17 WO disclosed
WO-2008086188-A2 THIOPHENE CARBOXAMIDES AS FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-07-17 WO disclosed
US-20070185092-A1 FACTOR Xa INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-08-09 US disclosed
US-20070185092-A1 FACTOR Xa INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-08-09 US disclosed
US-20070185092-A1 FACTOR Xa INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-08-09 US 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-20070185092-A1 FACTOR Xa INHIBITORS TFPI, F12, F11 F10 10/4885KMT2A 3134/4885LMNA 951/4885
US-20100234352-A1 FACTOR XA INHIBITORS TFPI, F12, F11 F10 10/4885KMT2A 3134/4885LMNA 951/4885

“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.