SCHEMBL2875003

SCHEMBL2875003

COC(=O)c1cc2cc(OC3CCN(C(C)C)CC3)c(Cl)nc2n1C(=O)OC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 9/20 0.36
SLC5A7 Q9GZV3 6/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 2/20 0.36
CYP3A4 P08684 1/20 0.36
POLB P06746 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL2872264 0.76 HRH3 (0.39) HRH3CYP2D6
SCHEMBL2875024 0.75 NR1H2 (0.36) POLBKMT2A
Lithium Ion SCHEMBL2875275 0.75 HRH3 (0.41) HRH3CYP2D6
SCHEMBL2875278 0.75 HRH3 (0.42) HRH3CYP2D6
SCHEMBL2874673 0.72 SRD5A1 (0.41) POLBKMT2A
SCHEMBL5221628 0.69 POLB (0.35) POLBKMT2A
SCHEMBL2878247 0.68 HRH3 (0.65) HRH3CYP2D6
Hydrochloric Acid SCHEMBL2872489 0.68 HRH3 (0.46) HRH3SLC5A7CYP1A2
SCHEMBL2875183 0.67 HRH3 (0.53) HRH3CYP2D6
SCHEMBL3166432 0.67 PDE4B (0.51)

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
EP-1966199-B1 AZAINDOLE-2-CARBOXAMIDE DERIVATIVES HOFFMANN LA ROCHE (CH) 2010-10-20 EP disclosed
US-7622466-B2 Azaindole-2-carboxamide derivatives HOFFMAN-LA ROCHE INC. (US) 2009-11-24 US disclosed
US-20090005379-A1 Azaindole-2-Carboxamide Derivatives HOFFMANN-LA ROCHE, INC. 2009-01-01 US disclosed
EP-1966199-A1 AZAINDOLE-2-CARBOXAMIDE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2008-09-10 EP disclosed
WO-2007057329-A1 AZAINDOLE-2-CARBOXAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-05-24 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-20090005379-A1 Azaindole-2-Carboxamide Derivatives HRH3, HRH4, H1-5 HRH3 1/4885SLC5A7 565/4885CYP1A2 351/4885

“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.