SCHEMBL2845653

SCHEMBL2845653

COc1ccc(CCNc2nc(Cl)nc3ccccc23)cc1

nearest known ligand 0.76

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
APP P05067 11/20 0.76
ACP1 P24666 4/20 0.58
PDE5A O76074 2/20 0.56
BCHE P06276 5/20 0.54
ACHE P22303 5/20 0.54
KMT2A Q03164 1/20 0.54
MERTK Q12866 1/20 0.53
POLB P06746 1/20 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
SCHEMBL1685041 0.87 APP (0.74) APPACP1PDE5APOLB
SCHEMBL17799869 0.87 APP (1.00) APPPDE5ABCHEACHEKMT2A
Hydrochloric Acid SCHEMBL1685081 0.86 APP (0.72) APPACP1PDE5AKMT2APOLB
SCHEMBL4865170 0.84 PDE5A (0.76) ACP1PDE5AKMT2APOLB
SCHEMBL11244506 0.82 APP (0.54) APPPDE5AKMT2AMERTKPOLB
SCHEMBL18095969 0.82 APP (0.60) APPACP1PDE5AMERTK
SCHEMBL17800065 0.82 APP (0.84) APPPDE5ABCHEACHEKMT2A
SCHEMBL23747941 0.81 ACHE (0.63) APPBCHEACHEKMT2AMERTK
SCHEMBL30125342 0.79 ACHE (0.61) APPACP1BCHEACHEMERTK
SCHEMBL23723424 0.79 ACHE (0.61) APPACP1BCHEACHEMERTK

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-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 APP 1584/4885ACP1 3341/4885PDE5A 3229/4885

“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.