SCHEMBL7044978

SCHEMBL7044978

CCN(CC)c1nc(C)nc2c1c(SC)nn2-c1c(Cl)cc(Cl)cc1Cl

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 17/20 0.55
CCND1 P24385 17/20 0.55
CCNE2 O96020 11/20 0.55
CCNE1 P24864 11/20 0.55
CDK2 P24941 11/20 0.55
CCNB2 O95067 1/20 0.55
CDK1 P06493 1/20 0.55
CCNB1 P14635 1/20 0.55
CCNB3 Q8WWL7 1/20 0.55
CRHR1 P34998 2/20 0.53

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
SCHEMBL5611027 1.00 CDK4 (0.55) CDK4CCND1CCNE2CCNE1CDK2
SCHEMBL5600433 0.92 CRHR1 (0.57) CDK4CCND1CCNE2CCNE1CDK2
SCHEMBL5599666 0.91 CDK4 (0.54) CDK4CCND1CCNE2CCNE1CDK2
SCHEMBL5600331 0.89 CDK4 (0.53) CDK4CCND1CCNE2CCNE1CDK2
SCHEMBL5600850 0.87 CDK4 (0.51) CDK4CCND1CCNE2CCNE1CDK2
SCHEMBL5599902 0.85 CDK4 (0.52) CDK4CCND1CCNE2CCNE1CDK2
SCHEMBL5599534 0.83 CDK4 (0.53) CDK4CCND1CCNE2CCNE1CDK2
SCHEMBL5599897 0.83 CRHR1 (0.49) CDK4CCND1CCNE2CCNE1CDK2
SCHEMBL7965911 0.82 CRHR1 (0.63) CDK4CCND1CCNE2CCNE1CDK2
Acetic Acid SCHEMBL7953282 0.81 CDK4 (0.50) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030199527-A1 Use of corticotropin releasing factor antagonists and related compositions HAMANAKA ERNEST S (US) 2003-10-23 US disclosed
US-6218397-B1 FOR THERAPY OF STRESS-RELATED ILLNESSES, SUCH AS STRESS-INDUCED DEPRESSION, ANXIETY, AND HEADACHE; ABDOMINAL BOWEL SYNDROME; INFLAMMATORY DISEASES; IMMUNE SUPPRESSION; ALZHEIMER'S DISEASE; GASTRONINTESTINAL DISEASES PFIZER INC 2001-04-17 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 (1 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-20030199527-A1 Use of corticotropin releasing factor antagonists and related compositions CRH, CRHR1, CRHR2 CDK4 4323/4885CCND1 4856/4885CCNE2 4790/4885

“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.