SCHEMBL2846271

SCHEMBL2846271

COc1ccc(CCNc2nc(N3CCCC3CO)nc3ccccc23)cc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 6/20 0.51
HRH4 Q9H3N8 1/20 0.51
CCNE2 O96020 1/20 0.49
CCNE1 P24864 1/20 0.49
CDK2 P24941 1/20 0.49
ACP1 P24666 2/20 0.47
ACVR1 Q04771 1/20 0.45
APP P05067 3/20 0.45
BCHE P06276 2/20 0.45
ACHE P22303 2/20 0.45
CCR4 P51679 1/20 0.45
HTR2A P28223 1/20 0.45
PDE5A O76074 2/20 0.45
MERTK Q12866 1/20 0.44
CDK5 Q00535 2/20 0.44
EHMT2 Q96KQ7 1/20 0.44
DNMT3A Q9Y6K1 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
SCHEMBL3253575 0.96 CDK1 (0.48) CDK1HRH4CCNE2CCNE1CDK2
SCHEMBL13356604 0.92 HRH4 (0.52) HRH4ACP1APPBCHEACHE
SCHEMBL20718973 0.90 HRH4 (0.58) CDK1HRH4CCNE2CCNE1CDK2
SCHEMBL20733814 0.90 HRH4 (0.58) CDK1HRH4CCNE2CCNE1CDK2
SCHEMBL2845074 0.90 HRH4 (0.53) CDK1HRH4CCNE2CCNE1CDK2
SCHEMBL20718970 0.88 CCNE2 (0.62) CDK1HRH4CCNE2CCNE1CDK2
SCHEMBL2852678 0.88 HRH4 (0.51) CDK1HRH4CCNE2CCNE1CDK2
SCHEMBL20733875 0.87 HRH4 (0.57) CDK1HRH4CCNE2CCNE1CDK2
SCHEMBL3642691 0.81 HRH4 (0.66) HRH4ACP1APPHTR2APDE5A
Hydrochloric Acid SCHEMBL3641028 0.81 HRH4 (0.65) HRH4ACP1HTR2APDE5A

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-20100130476-A1 COMPOUNDS THAT INDUCE PANCREATIC BETA-CELL EXPANSION THE SCRIPPS RESEARCH INSTITUTE (US) 2010-05-27 US claimed
US-20100130476-A1 COMPOUNDS THAT INDUCE PANCREATIC BETA-CELL EXPANSION THE SCRIPPS RESEARCH INSTITUTE (US) 2010-05-27 US disclosed
US-20100130476-A1 COMPOUNDS THAT INDUCE PANCREATIC BETA-CELL EXPANSION THE SCRIPPS RESEARCH INSTITUTE (US) 2010-05-27 US disclosed
US-20100130476-A1 COMPOUNDS THAT INDUCE PANCREATIC BETA-CELL EXPANSION THE SCRIPPS RESEARCH INSTITUTE (US) 2010-05-27 US disclosed
WO-2010056907-A2 COMPOUNDS THAT INDUCE PANCREATIC BETA-CELL EXPANSION THE SCRIPPS RESEARCH INSTITUTE (US) 2010-05-20 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-20100130476-A1 COMPOUNDS THAT INDUCE PANCREATIC BETA-CELL EXPANSION IAPP, PNLIP, GPR119 CDK1 75/4885HRH4 2387/4885CCNE2 78/4885

“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.