SCHEMBL1698930

SCHEMBL1698930

NCc1cn(-c2ccc(I)cc2)cn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CPB1 P15086 3/20 0.39
CPB2 Q96IY4 3/20 0.39
PDE3B Q13370 1/20 0.35
PDE3A Q14432 1/20 0.35
CYP2C9 P11712 2/20 0.34
CYP2C19 P33261 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP19A1 P11511 1/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
NLRP3 Q96P20 1/20 0.33
MAOA P21397 3/20 0.32
NOTUM Q6P988 2/20 0.32
TSHR P16473 1/20 0.31
MTOR P42345 1/20 0.31
HRH4 Q9H3N8 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
MAP4K4 O95819 1/20 0.31

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
SCHEMBL1698998 0.82 PDE3B (0.35) CPB1CPB2PDE3BPDE3ACYP2C9
SCHEMBL1698763 0.82 PDE3B (0.50) CPB1CPB2PDE3BPDE3ACYP2C9
SCHEMBL28187390 0.81 CPB2 (0.54) CPB1CPB2PDE3BPDE3ACYP3A4
SCHEMBL1106606 0.78 CPB2 (0.38) CPB1CPB2PDE3BPDE3ACYP2C9
SCHEMBL1277675 0.78 CPB1 (0.34) CPB1CPB2NOTUM
SCHEMBL4433531 0.75 NOTUM (0.55) NOTUM
SCHEMBL13943972 0.74 KDM4E (0.40) CPB1CPB2PDE3BPDE3ACYP2C9
SCHEMBL27982466 0.73 CPB1 (0.33) CPB1CPB2PDE3BPDE3A
SCHEMBL1277385 0.73 CPB2 (0.41) CPB1CPB2PDE3BPDE3ACYP2C9
Hydrochloric Acid SCHEMBL1277342 0.72 CPB2 (0.41) CPB1CPB2PDE3BPDE3ACYP2C9

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8349873-B2 Factor XA inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-01-08 US disclosed
US-8349873-B2 Factor XA inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-01-08 US disclosed
US-20120088795-A1 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. 2012-04-12 US disclosed
US-20120088795-A1 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. 2012-04-12 US disclosed
US-8063077-B2 Factor Xa inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-11-22 US disclosed
US-8063077-B2 Factor Xa inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-11-22 US disclosed
US-20110118244-A2 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-05-19 US disclosed
US-20110118244-A2 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-05-19 US disclosed
US-20100249117-A1 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. 2010-09-30 US disclosed
US-20100249117-A1 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. 2010-09-30 US disclosed
US-20090030045-A1 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. 2009-01-29 US disclosed
US-20090030045-A1 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. 2009-01-29 US 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
WO-2007131179-A1 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-11-15 WO disclosed
US-20070259924-A1 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. 2007-11-08 US disclosed
US-20070259924-A1 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. 2007-11-08 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
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 (6 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 CPB1 35/4885CPB2 47/4885PDE3B 131/4885
US-20090030045-A1 FACTOR XA INHIBITORS TFPI, F12, F11 CPB1 36/4885CPB2 47/4885PDE3B 154/4885
US-20110118244-A2 FACTOR XA INHIBITORS TFPI, F12, F11 CPB1 36/4885CPB2 47/4885PDE3B 154/4885
US-20100249117-A1 FACTOR XA INHIBITORS TFPI, F12, F11 CPB1 36/4885CPB2 47/4885PDE3B 154/4885
US-20070259924-A1 FACTOR XA INHIBITORS TFPI, F12, F11 CPB1 36/4885CPB2 47/4885PDE3B 154/4885
US-20120088795-A1 FACTOR XA INHIBITORS TFPI, F12, F11 CPB1 36/4885CPB2 47/4885PDE3B 154/4885

“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.