SCHEMBL5599539

SCHEMBL5599539

Cc1cc(C)c(-c2cn(C)c3c(OC4CCOC4)nc(C)nc23)c(C)c1

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 12/20 0.37
BRD4 O60885 3/20 0.35
LRRK2 Q5S007 2/20 0.33
CRHR1 P34998 2/20 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
SCHEMBL5788374 1.00 IRAK4 (0.37) IRAK4BRD4LRRK2CRHR1
SCHEMBL5787990 0.83 BRD4 (0.35) IRAK4BRD4CRHR1
SCHEMBL5787986 0.83 BRD4 (0.35) IRAK4BRD4CRHR1
SCHEMBL5707847 0.71 CRHR1 (0.42) CRHR1
SCHEMBL5844093 0.70 SOS1 (0.36) IRAK4LRRK2CRHR1
SCHEMBL5610816 0.70 CRHR1 (0.37) CRHR1
SCHEMBL5787033 0.69 CRHR1 (0.36) CRHR1
SCHEMBL5787155 0.69 CRHR1 (0.36) CRHR1
SCHEMBL6305307 0.65 CRHR1 (0.46) CRHR1
SCHEMBL8522874 0.65 LRRK2 (0.38) IRAK4LRRK2CRHR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2007522200-A 2007-08-09 JP claimed
EP-1718311-A1 THERAPEUTIC COMBINATIONS OF ATYPICAL ANTIPSYCHOTICS WITH CORTICOTROPIN RELEASING FACTOR ANTAGONISTS Pfizer Products Incorporated (US) 2006-11-08 EP claimed
US-20050209250-A1 Therapeutic combinations of atypical antipsychotics with corticotropin releasing factor antagonists PFIZER INC 2005-09-22 US claimed
WO-2005079807-A1 THERAPEUTIC COMBINATIONS OF ATYPICAL ANTIPSYCHOTICS WITH CORTICOTROPIN RELEASING FACTOR ANTAGONISTS PFIZER PRODUCTS INC. (US) 2005-09-01 WO claimed
US-20050009823-A1 Substituted 6,5-hetero-bicyclic derivatives PFIZER INC 2005-01-13 US claimed
US-20040082597-A1 Use of CRF antagonists and related compositions PFIZER INC 2004-04-29 US claimed
US-20030199527-A1 Use of corticotropin releasing factor antagonists and related compositions HAMANAKA ERNEST S (US) 2003-10-23 US claimed
US-20020156089-A1 Use of CRF antagonists and related compositions PFIZER INC. 2002-10-24 US claimed
US-20020151713-A1 Substituted 6,5-hetero-bicyclic derivatives PFIZER INC. 2002-10-17 US claimed
US-6432989-B1 TREATING SLEEP DISORDERS PFIZER INC 2002-08-13 US claimed
US-20010041673-A1 Combinations of corticotropin releasing factor antagonists and growth hormone secretagogues PFIZER INC. 2001-11-15 US claimed
EP-1149583-A2 Combinations of corticotropin releasing factor antagonists and growth hormone secretagogues Pfizer Products Inc. (US) 2001-10-31 EP claimed
US-20010007867-A1 SUBSTITUTED 6,5-HETERO-BICYCLIC DERIVATIVES CHEN YUHPYNG L (US) 2001-07-12 US claimed
EP-1097709-A2 Use of corticotropin releasing factor antagonists for treating syndrome X Pfizer Products Inc. (US) 2001-05-09 EP claimed
EP-1082960-A2 Use of CRF antagonists and related compositions for treating depression and modifying the circadian rhytm Pfizer Products Inc. (US) 2001-03-14 EP claimed
EP-0923582-A1 SUBSTITUTED 6,5-HETERO-BICYCLIC DERIVATIVES PFIZER INC. (US) 1999-06-23 EP claimed
WO-1998008847-A1 SUBSTITUTED 6,5-HETERO-BICYCLIC DERIVATIVES PFIZER INC. (US) 1998-03-05 WO claimed
EP-1703918-A2 COMBINATION OF CRF ANTAGONISTS AND 5-HT 1B RECEPTOR ANTAGONISTS Pfizer Products Incorporated (US) 2006-09-27 EP disclosed
EP-1097709-A2 Use of corticotropin releasing factor antagonists for treating syndrome X Pfizer Products Inc. (US) 2001-05-09 EP disclosed
EP-1082960-A2 Use of CRF antagonists and related compositions for treating depression and modifying the circadian rhytm Pfizer Products Inc. (US) 2001-03-14 EP 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 (8 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-20050209250-A1 Therapeutic combinations of atypical antipsychotics with corticotropin releasing factor antagonists CRH, MC2R, CRHR2 IRAK4 3119/4885BRD4 3449/4885LRRK2 2559/4885
US-20050009823-A1 Substituted 6,5-hetero-bicyclic derivatives CYP2D6, CYP2B6, ABCG2 IRAK4 4444/4885BRD4 199/4885LRRK2 1537/4885
US-20020156089-A1 Use of CRF antagonists and related compositions CRH, CRHR1, CRHR2 IRAK4 3398/4885BRD4 2521/4885LRRK2 1245/4885
US-20010041673-A1 Combinations of corticotropin releasing factor antagonists and growth hormone secretagogues CRH, GHSR, GHRHR IRAK4 4005/4885BRD4 2805/4885LRRK2 4191/4885
US-20020151713-A1 Substituted 6,5-hetero-bicyclic derivatives CYP2D6, CYP2B6, CYP3A5 IRAK4 4406/4885BRD4 281/4885LRRK2 1935/4885
US-20030199527-A1 Use of corticotropin releasing factor antagonists and related compositions CRH, CRHR1, CRHR2 IRAK4 3245/4885BRD4 3810/4885LRRK2 3038/4885
US-20040082597-A1 Use of CRF antagonists and related compositions CRH, CRHR1, CRHR2 IRAK4 3398/4885BRD4 2521/4885LRRK2 1245/4885
US-20010007867-A1 SUBSTITUTED 6,5-HETERO-BICYCLIC DERIVATIVES CYP2D6, CYP2B6, CYP3A5 IRAK4 4381/4885BRD4 427/4885LRRK2 2484/4885

“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.