SCHEMBL4147793

SCHEMBL4147793

c1cnc2c(c1)NCc1cccn1C2

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.31
PDE3B Q13370 1/20 0.31
PDE3A Q14432 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
SCHEMBL1346239 0.75 ALOX15 (0.44) BRD4
Ammonia Solution, Strong SCHEMBL6627065 0.73 ALOX15 (0.43) BRD4
SCHEMBL5739134 0.73 SIRT6 (0.34)
SCHEMBL2044013 0.72
SCHEMBL5740273 0.69
SCHEMBL5782766 0.64 ADRA1B (0.36)
SCHEMBL24447711 0.63 PDE3B (0.34) BRD4PDE3BPDE3A
SCHEMBL6686095 0.63 GSK3B (0.38) BRD4PDE3BPDE3A
SCHEMBL115708 0.62 CYP1A2 (0.31) BRD4
SCHEMBL13477748 0.62

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090227565-A1 Biphenyl Vasopressin Agonists WYETH (US) 2009-09-10 US disclosed
US-7329653-B2 Cyclohexylphenyl vasopressin agonists WYETH (US) 2008-02-12 US disclosed
US-7223752-B2 Biphenyl vasopressin agonists WYETH (US) 2007-05-29 US disclosed
US-7109193-B2 Tricyclic diazepines tocolytic oxytocin receptor antagonists WYETH (US) 2006-09-19 US disclosed
CN-1273469-C Tricyclic diazepines as tocolytic oxytocin receptor antagonists WYETH CORP (US) 2006-09-06 CN disclosed
US-20060183734-A1 Cyclohexylphenyl vasopressin agonists WYETH (US) 2006-08-17 US disclosed
US-7064120-B2 Tricyclic pyridyl carboxamides and derivatives thereof tocolytic oxytocin receptor antagonists WYETH (US) 2006-06-20 US disclosed
EP-1377586-B1 TRICYCLIC DIAZEPINES AS TOCOLYTIC OXYTOCIN RECEPTOR ANTAGONISTS WYETH CORP (US) 2006-03-22 EP disclosed
US-6977254-B2 Hydroxy cyclohexenyl phenyl carboxamides tocolytic oxytocin receptor antagonists WYETH (US) 2005-12-20 US disclosed
US-6903091-B2 Biphenyl vasopressin agonists WYETH (US) 2005-06-07 US disclosed
US-20050075328-A1 Biphenyl vasopressin agonists WYETH (US) 2005-04-07 US disclosed
CN-1501929-A Novel hydroxy cyclohexenyl phenyl carboxamides tocolytic oxytocin receptor antagonists 2004-06-02 CN disclosed
EP-1385849-A1 NOVEL HYDROXY CYCLOHEXENYL PHENYL CARBOXAMIDES TOCOLYTIC OXYTOCIN RECEPTOR ANTAGONISTS Wyeth (US) 2004-02-04 EP disclosed
EP-1377586-A1 TRICYCLIC DIAZEPINES AS TOCOLYTIC OXYTOCIN RECEPTOR ANTAGONISTS Wyeth (US) 2004-01-07 EP disclosed
US-20030055047-A1 Novel tricyclic pyridyl carboxamides and derivatives thereof tocolytic oxytocin receptor antagonists WYETH 2003-03-20 US disclosed
US-20030018024-A1 Biphenyl vasopressin agonists WYETH 2003-01-23 US disclosed
US-20030018026-A1 Novel tricyclic hydroxy carboxamides and derivatives thereof tocolytic oxytocin receptor antagonists WYETH (US) 2003-01-23 US disclosed
US-20020183311-A1 Novel hydroxy cyclohexenyl phenyl carboxamides tocolytic oxytocin receptor antagonists WYETH 2002-12-05 US disclosed
WO-2002083679-A1 NOVEL HYDROXY CYCLOHEXENYL PHENYL CARBOXAMIDES TOCOLYTIC OXYTOCIN RECEPTOR ANTAGONISTS WYETH (US) 2002-10-24 WO disclosed
WO-2002083678-A1 TRICYCLIC DIAZEPINES AS TOCOLYTIC OXYTOCIN RECEPTOR ANTAGONISTS WYETH (US) 2002-10-24 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 (7 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-20020183311-A1 Novel hydroxy cyclohexenyl phenyl carboxamides tocolytic oxytocin receptor antagonists OXTR, HTR1E, HTR3E BRD4 482/4885PDE3B 1020/4885PDE3A 587/4885
US-20090227565-A1 Biphenyl Vasopressin Agonists AVPR2, AVPR1B, SSTR3 BRD4 1235/4885PDE3B 500/4885PDE3A 420/4885
US-20060183734-A1 Cyclohexylphenyl vasopressin agonists AVPR2, AVPR1A, AVPR1B BRD4 1561/4885PDE3B 91/4885PDE3A 102/4885
US-20030055047-A1 Novel tricyclic pyridyl carboxamides and derivatives thereof tocolytic oxytocin receptor antagonists OXTR, OPRL1, OPRK1 BRD4 1341/4885PDE3B 2514/4885PDE3A 2054/4885
US-20030018024-A1 Biphenyl vasopressin agonists AVPR2, AVPR1B, AVPR1A BRD4 1903/4885PDE3B 864/4885PDE3A 829/4885
US-20030018026-A1 Novel tricyclic hydroxy carboxamides and derivatives thereof tocolytic oxytocin receptor antagonists OXTR, OPRL1, HCRTR2 BRD4 2029/4885PDE3B 3586/4885PDE3A 3224/4885
US-20050075328-A1 Biphenyl vasopressin agonists AVPR2, AVPR1B, SSTR3 BRD4 1235/4885PDE3B 500/4885PDE3A 420/4885

“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.