SCHEMBL5873574

SCHEMBL5873574

CC(C)(C)OC(=O)NC1CCN(c2ccc3cc(N)ccc3n2)C1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 2/20 0.61
PDE10A Q9Y233 4/20 0.59
SUV39H2 Q9H5I1 6/20 0.50
BTK Q06187 2/20 0.49
AURKA O14965 3/20 0.47
PDPK1 O15530 3/20 0.47
AURKB Q96GD4 3/20 0.47
CKS1B P61024 1/20 0.47
SKP1 P63208 1/20 0.47
SKP2 Q13309 1/20 0.47
SYK P43405 1/20 0.47
MCHR1 Q99705 1/20 0.46
JAK3 P52333 1/20 0.46

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
SCHEMBL29689781 0.89 PDE10A (0.58) MAP4K4PDE10ASUV39H2CKS1BSKP1
SCHEMBL22499904 0.89 PDE10A (0.58) MAP4K4PDE10ASUV39H2CKS1BSKP1
SCHEMBL5873711 0.85 PDE10A (0.55) MAP4K4PDE10ASUV39H2
SCHEMBL24166014 0.84 MAP4K4 (0.59) MAP4K4PDE10ASUV39H2BTKCKS1B
SCHEMBL2142039 0.83 MAP4K4 (0.62) MAP4K4PDE10ASUV39H2BTKAURKA
SCHEMBL110191 0.83 MAP4K4 (0.62) MAP4K4PDE10ASUV39H2BTKAURKA
SCHEMBL2142278 0.83 MAP4K4 (0.62) MAP4K4PDE10ASUV39H2BTKAURKA
SCHEMBL28601499 0.82 SYK (0.57) MAP4K4PDE10ASUV39H2CKS1BSKP1
SCHEMBL28601501 0.82 SYK (0.57) MAP4K4PDE10ASUV39H2CKS1BSKP1
SCHEMBL529863 0.82 MAP4K4 (0.58) MAP4K4PDE10ASUV39H2BTKAURKA

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-7084156-B2 2-Aminoquinoline compounds MERCK & CO., INC. (US) 2006-08-01 US disclosed
US-20050026915-A1 2-Aminoquinoline compounds MERCK SHARP & DOHME CORP. 2005-02-03 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-20050026915-A1 2-Aminoquinoline compounds MCHR1, MCHR2, MC5R MAP4K4 1963/4885PDE10A 1245/4885SUV39H2 1576/4885

“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.