SCHEMBL12413732

SCHEMBL12413732

CC(C)(C)c1cnn([C@@H]2CCC(=O)NC2)c1

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MPO P05164 1/20 0.38
DDB1 Q16531 2/20 0.35
CRBN Q96SW2 2/20 0.35
HCRTR1 O43613 4/20 0.33
SLC5A1 P13866 1/20 0.33

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
SCHEMBL12505826 0.81 MPO (0.38) MPODDB1CRBN
SCHEMBL1559639 0.78 MPO (0.40) MPODDB1CRBN
SCHEMBL1559643 0.78 MPO (0.40) MPODDB1CRBN
SCHEMBL16437216 0.77 OGA (0.39) HCRTR1
SCHEMBL17085006 0.77 KHK (0.40) DDB1CRBN
SCHEMBL23511661 0.76 KHK (0.38) HCRTR1
SCHEMBL25819003 0.75 CRBN (0.44) DDB1CRBN
SCHEMBL12413741 0.74 JAK2 (0.40)
SCHEMBL1558733 0.74 MPO (0.37) MPODDB1CRBN
SCHEMBL10203227 0.74 ACHE (0.47) HCRTR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8569298-B2 Pyridine compounds ASTRAZENECA AB (SE) 2013-10-29 US disclosed
US-8569298-B2 Pyridine compounds ASTRAZENECA AB (SE) 2013-10-29 US disclosed
US-20110166139-A1 PYRIDINE COMPOUNDS ASTRAZENECA AB (SE) 2011-07-07 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 (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-20110166139-A1 PYRIDINE COMPOUNDS PTK2, PTK2B, PFKP MPO 1357/4885DDB1 2412/4885CRBN 1478/4885

“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.