SCHEMBL1277385

SCHEMBL1277385

NCc1cn(-c2ccc(-n3ccccc3=O)cc2)cn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CPB2 Q96IY4 4/20 0.41
CPB1 P15086 3/20 0.41
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
F10 P00742 5/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
NLRP3 Q96P20 1/20 0.33
HRH4 Q9H3N8 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
CA14 Q9ULX7 1/20 0.33
MAOA P21397 1/20 0.33
NOTUM Q6P988 1/20 0.33
SYK P43405 1/20 0.32
KLKB1 P03952 1/20 0.32
PRMT5 O14744 1/20 0.32
CYP3A4 P08684 1/20 0.32

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
Hydrochloric Acid SCHEMBL1277342 0.99 CPB2 (0.41) CPB2CPB1PDE3BPDE3AF10
SCHEMBL1277916 0.86 PDE3B (0.49) CPB2CPB1PDE3BPDE3AF10
SCHEMBL1699008 0.82 F10 (0.37) CPB2CPB1F10KLKB1
SCHEMBL28187390 0.80 CPB2 (0.54) CPB2CPB1PDE3BPDE3ANPC1
SCHEMBL3083099 0.78 NPSR1 (0.40) CPB2CPB1F10NOTUMCYP3A4
SCHEMBL1277718 0.77 CPB1 (0.37) CPB2CPB1F10KLKB1
SCHEMBL1993783 0.75 ATM (0.36) F10NPC1RAB9ANLRP3
SCHEMBL1698930 0.73 CPB1 (0.39) CPB2CPB1PDE3BPDE3ANPC1
SCHEMBL3094998 0.73 F10 (0.52) F10
SCHEMBL85901 0.73 LOXL2 (0.43) F10CA12CA1CA2CA9

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 11 patents. 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-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-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-7767697-B2 Factor Xa inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-08-03 US disclosed
US-7763608-B2 Factor Xa inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-07-27 US disclosed
US-20090030045-A1 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. 2009-01-29 US disclosed
EP-2016072-A1 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-01-21 EP 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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-20090030045-A1 FACTOR XA INHIBITORS TFPI, F12, F11 CPB2 47/4885CPB1 36/4885PDE3B 154/4885
US-20110118244-A2 FACTOR XA INHIBITORS TFPI, F12, F11 CPB2 47/4885CPB1 36/4885PDE3B 154/4885
US-20100249117-A1 FACTOR XA INHIBITORS TFPI, F12, F11 CPB2 47/4885CPB1 36/4885PDE3B 154/4885
US-20070259924-A1 FACTOR XA INHIBITORS TFPI, F12, F11 CPB2 47/4885CPB1 36/4885PDE3B 154/4885
US-20120088795-A1 FACTOR XA INHIBITORS TFPI, F12, F11 CPB2 47/4885CPB1 36/4885PDE3B 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.