SCHEMBL1698763

SCHEMBL1698763

OCc1cn(-c2ccc(I)cc2)cn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 1/20 0.50
PDE3A Q14432 1/20 0.50
CPB1 P15086 3/20 0.36
CPB2 Q96IY4 3/20 0.36
GRM5 P41594 1/20 0.35
GRM1 Q13255 1/20 0.35
NOTUM Q6P988 6/20 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
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
KDM4E B2RXH2 2/20 0.33
MAPT P10636 1/20 0.33
SCD O00767 1/20 0.33
PDE10A Q9Y233 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
NLRP3 Q96P20 1/20 0.33

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
SCHEMBL4428918 0.82 PDE3B (0.53) PDE3BPDE3ACPB1CPB2NOTUM
SCHEMBL4434213 0.82 NOTUM (0.51) PDE3BPDE3ACPB1CPB2NOTUM
SCHEMBL2173293 0.82 PDE3B (0.50) PDE3BPDE3ACPB1CPB2GRM5
SCHEMBL4432563 0.82 NOTUM (0.51) PDE3BPDE3ACPB1CPB2NOTUM
SCHEMBL3426575 0.82 PDE3B (0.50) PDE3BPDE3ACPB1CPB2GRM5
SCHEMBL1698998 0.82 PDE3B (0.35) PDE3BPDE3ACPB1CPB2CYP1A2
SCHEMBL1698930 0.82 CPB1 (0.39) PDE3BPDE3ACPB1CPB2NOTUM
SCHEMBL4433834 0.81 CPB2 (0.50) PDE3BPDE3ACPB1CPB2NOTUM
SCHEMBL4427934 0.79 PDE3B (0.54) PDE3BPDE3ACPB1CPB2NOTUM
SCHEMBL27749290 0.79 PDE3B (0.47) PDE3BPDE3ACPB1CPB2GRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101490036-B Factor xa inhibitors MILLENNIUM PHARM INC 2013-07-17 CN disclosed
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-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 PDE3B 131/4885PDE3A 188/4885CPB1 35/4885
US-20090030045-A1 FACTOR XA INHIBITORS TFPI, F12, F11 PDE3B 154/4885PDE3A 239/4885CPB1 36/4885
US-20110118244-A2 FACTOR XA INHIBITORS TFPI, F12, F11 PDE3B 154/4885PDE3A 239/4885CPB1 36/4885
US-20100249117-A1 FACTOR XA INHIBITORS TFPI, F12, F11 PDE3B 154/4885PDE3A 239/4885CPB1 36/4885
US-20070259924-A1 FACTOR XA INHIBITORS TFPI, F12, F11 PDE3B 154/4885PDE3A 239/4885CPB1 36/4885
US-20120088795-A1 FACTOR XA INHIBITORS TFPI, F12, F11 PDE3B 154/4885PDE3A 239/4885CPB1 36/4885

“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.