SCHEMBL3562422

SCHEMBL3562422

Cc1nn(COC(C)[Si](C)(C)C)c2ccc(Br)cc12

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 2/20 0.36
ADORA2B P29275 2/20 0.36
MAPK8 P45983 1/20 0.33
ELANE P08246 6/20 0.33
MAPT P10636 3/20 0.33
LMNA P02545 2/20 0.33
KDM4E B2RXH2 1/20 0.33
USP2 O75604 1/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33
GLS O94925 1/20 0.32
DNM1 Q05193 4/20 0.32
HTT P42858 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
DYRK1A Q13627 1/20 0.30
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30

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
SCHEMBL8889173 0.84 ADORA2A (0.41) ADORA2AADORA2B
SCHEMBL15687171 0.77 ADORA2A (0.41) ADORA2AADORA2BMAPK8ELANEMAPT
SCHEMBL8887683 0.76 ESR1 (0.39) ADORA2AADORA2BHTR2AHTR2C
SCHEMBL4312796 0.76 DGAT1 (0.43) ADORA2AADORA2BMAPK8ELANEMAPT
SCHEMBL3783170 0.73 ELANE (0.39) ELANEMAPTTSHRGLSHTT
SCHEMBL18512334 0.72 ADORA2A (0.44) ADORA2AADORA2BMAPK8ELANEHSD17B10
SCHEMBL6427370 0.72 KMO (0.48) HTR2AHTR2C
SCHEMBL24819639 0.69 CASP3 (0.51) MAPK8ELANEMAPTLMNAKDM4E
SCHEMBL18512336 0.69 ADORA2A (0.41) ADORA2AADORA2BMAPK8LMNATSHR
SCHEMBL15970798 0.69 MAPK8 (0.40) ADORA2AADORA2BMAPK8ELANEMAPT

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 4 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
EP-2001870-A2 KINASE INHIBITORS SCHERING CORPORATION (US) 2008-12-17 EP 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
WO-2007126964-A2 KINASE INHIBITORS SCHERING CORPORATION (US) 2007-11-08 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 (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-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 ADORA2A 467/4885ADORA2B 1448/4885MAPK8 742/4885

“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.