SCHEMBL5600331

SCHEMBL5600331

CCCCN(CCCC)c1nc(C)nc2c1c(SC)nn2-c1c(Cl)cc(Cl)cc1Cl

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 14/20 0.53
CCND1 P24385 14/20 0.53
CCNE2 O96020 10/20 0.51
CCNE1 P24864 10/20 0.51
CDK2 P24941 10/20 0.51
CRHR1 P34998 4/20 0.51
CCNB2 O95067 1/20 0.51
CDK1 P06493 1/20 0.51
CCNB1 P14635 1/20 0.51
CCNB3 Q8WWL7 1/20 0.51
TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL5600433 0.96 CRHR1 (0.57) CDK4CCND1CCNE2CCNE1CDK2
SCHEMBL5599902 0.95 CDK4 (0.52) CDK4CCND1CCNE2CCNE1CDK2
SCHEMBL5599666 0.94 CDK4 (0.54) CDK4CCND1CCNE2CCNE1CDK2
Acetic Acid SCHEMBL7953282 0.91 CDK4 (0.50) CDK4CCND1CCNE2CCNE1CDK2
SCHEMBL5599897 0.91 CRHR1 (0.49) CDK4CCND1CCNE2CCNE1CDK2
SCHEMBL7953286 0.89 CDK4 (0.46) CDK4CCND1CCNE2CCNE1CDK2
SCHEMBL7044978 0.89 CDK4 (0.55) CDK4CCND1CCNE2CCNE1CDK2
SCHEMBL5611027 0.89 CDK4 (0.55) CDK4CCND1CCNE2CCNE1CDK2
SCHEMBL5599534 0.88 CDK4 (0.53) CDK4CCND1CCNE2CCNE1CDK2
SCHEMBL8121281 0.87 CDK4 (0.53) CDK4CCND1CCNE2CCNE1CDK2

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 56 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-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
EP-0691128-B1 Use of CRF antagonists PFIZER (US) 2002-12-11 EP claimed
US-20020156089-A1 Use of CRF antagonists and related compositions PFIZER INC. 2002-10-24 US claimed
US-6432989-B1 TREATING SLEEP DISORDERS PFIZER INC 2002-08-13 US claimed
US-6387894-B1 MIXTURE OF CORTICOTROPIN RELEASING FACTOR ANTAGINIST AND RENIN-ANGIOTENSIN SYSTEM INHIBITOR; THERAPY FOR CONGESTIVE HEART FAILURE, HYPOTENSIVE AGENTS PFIZER INC. 2002-05-14 US 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
US-6200979-B1 ADMINISTERING SUBSTITUTED PYRAZOLES AND PYZAZOLOPYRIMIDINES FOR TREATING PHOBIAS OBSESSIVE-COMPULSIVE DISORDER, POST-TRAUMATIC STRESS DISORDER, SINGLE EPISODE DEPRESSION, RECURRENT DEPRESSION, DYSTHYMIA, BIPOLAR DISORDERS BRIGHT GENE M (US) 2001-03-13 US claimed
EP-1059100-A2 Combinations of CRF antagonists and renin-angiotensin system inhibitors Pfizer Products Inc. (US) 2000-12-13 EP claimed
EP-1040831-A2 Use of corticotropin releasing factor (CRF) antagonists to prevent sudden death Pfizer Products Inc. (US) 2000-10-04 EP claimed
EP-0674642-B1 PYRAZOLOPYRIMIDINES AS CRF ANTAGONISTS PFIZER (US) 2000-08-23 EP claimed
US-6051578-A Pyrazolopyrimidines for treatment of CNS disorders PFIZER INC. (US) 2000-04-18 US claimed
EP-0773023-A1 New uses for corticotropin releasing factor (CRF) antagonists PFIZER INC. (US) 1997-05-14 EP claimed
EP-0729758-A2 Pyrazolopyrimidines and pyrrolopyrimidines for treatment of neuronal and other disorders PFIZER INC. (US) 1996-09-04 EP claimed
EP-0691128-A1 Methods of administering CRF antagonists PFIZER INC. (US) 1996-01-10 EP claimed
WO-1994013677-A1 PYRAZOLOPYRIMIDINES AS CRF ANTAGONISTS PFIZER INC. (US) 1994-06-23 WO claimed

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

For each of this compound's patents that has machine-readable text (4 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 CDK4 3208/4885CCND1 3972/4885CCNE2 4282/4885
US-20020156089-A1 Use of CRF antagonists and related compositions CRH, CRHR1, CRHR2 CDK4 254/4885CCND1 211/4885CCNE2 269/4885
US-20030199527-A1 Use of corticotropin releasing factor antagonists and related compositions CRH, CRHR1, CRHR2 CDK4 4323/4885CCND1 4856/4885CCNE2 4790/4885
US-20040082597-A1 Use of CRF antagonists and related compositions CRH, CRHR1, CRHR2 CDK4 254/4885CCND1 211/4885CCNE2 269/4885

“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.