SCHEMBL6287049

SCHEMBL6287049

CC(C)(C)OC(=O)N1CCN(c2nc(Br)cnc2N)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 1/20 0.52
PTPN11 Q06124 1/20 0.50
CKS1B P61024 2/20 0.48
SKP1 P63208 2/20 0.48
SKP2 Q13309 2/20 0.48
GBA1 P04062 2/20 0.47
KIT P10721 2/20 0.46
SMARCA2 P51531 1/20 0.46
SMARCA4 P51532 1/20 0.46
PBRM1 Q86U86 1/20 0.46
GPR119 Q8TDV5 4/20 0.44
MAPT P10636 2/20 0.43
MEN1 O00255 1/20 0.43
TSHR P16473 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
PIK3CA P42336 1/20 0.42
KCNH2 Q12809 1/20 0.42

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
SCHEMBL2402337 0.90 MAP4K4 (0.52) MAP4K4PTPN11CKS1BSKP1SKP2
SCHEMBL2402237 0.84 POLB (0.48) MAP4K4PTPN11CKS1BSKP1SKP2
SCHEMBL2400302 0.83 PTPN11 (0.47) MAP4K4PTPN11CKS1BSKP1SKP2
SCHEMBL20507720 0.81 MAP4K4 (0.48) MAP4K4PTPN11CKS1BSKP1SKP2
SCHEMBL18032579 0.81 CKS1B (0.45) MAP4K4PTPN11CKS1BSKP1SKP2
SCHEMBL2402597 0.81 NR1H2 (0.47) MAP4K4PTPN11CKS1BSKP1SKP2
SCHEMBL14782331 0.80 MAP4K4 (0.57) MAP4K4PTPN11CKS1BSKP1SKP2
SCHEMBL2317966 0.80 NEK2 (0.43) PTPN11
SCHEMBL22712289 0.79 KIT (0.47) MAP4K4PTPN11CKS1BSKP1SKP2
SCHEMBL30323218 0.79 KIT (0.47) MAP4K4PTPN11CKS1BSKP1SKP2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7700601-B2 Substituted indazoles of formula 1.0 that are kinase inhibitors SCHERING CORPORATION (US) 2010-04-20 US disclosed
US-20080021019-A1 immunodeficiencies, cancers, cardiovascular diseases, endocrine disorders, Parkinson's disease, metabolic diseases, tumorigenesis, Alzheimer's disease, heart disease, diabetes, neurodegeneration, inflammation, kidney disease, atherosclerosis and airway disease; substituted pyrazine compounds SCHERING CORPORATION 2008-01-24 US disclosed
US-6894050-B2 5-HT receptor ligands and uses thereof PFIZER INC. (US) 2005-05-17 US disclosed
US-20050090503-A1 5-HT receptor ligands and uses thereof PFIZER INC 2005-04-28 US disclosed
US-20050020604-A1 5-HT receptor ligands and uses thereof PFIZER INC 2005-01-27 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 (3 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-20050090503-A1 5-HT receptor ligands and uses thereof HTR2A, HTR1A, HTR5A MAP4K4 3156/4885PTPN11 3966/4885CKS1B 4756/4885
US-20050020604-A1 5-HT receptor ligands and uses thereof HTR2A, HTR1A, HTR5A MAP4K4 3156/4885PTPN11 3966/4885CKS1B 4756/4885
US-20080021019-A1 immunodeficiencies, cancers, cardiovascular diseases, endocrine disorders, Parkinson's disease, metabolic diseases, tumorigenesis, Alzheimer's disease, heart disease, diabetes, neurodegeneration, inflammation, kidney disease, atherosclerosis and airway disease; substituted pyrazine compounds BRCA1, PDK2, PDK1 MAP4K4 142/4885PTPN11 1535/4885CKS1B 501/4885

“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.