SCHEMBL1587766

SCHEMBL1587766

CN(C(=O)OC(C)(C)C)[C@@H]1CCN(c2cnnc(Cl)c2)C1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 1/20 0.43
PDE10A Q9Y233 1/20 0.43
HSD11B1 P28845 1/20 0.41
KDM4D Q6B0I6 1/20 0.41
SPR P35270 5/20 0.37
RET P07949 2/20 0.36
USP30 Q70CQ3 4/20 0.35
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
JAK3 P52333 1/20 0.35
PIK3CD O00329 1/20 0.35
GPR119 Q8TDV5 1/20 0.35
NOTUM Q6P988 1/20 0.34
AURKA O14965 1/20 0.34
PDPK1 O15530 1/20 0.34
AURKB Q96GD4 1/20 0.34

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
SCHEMBL1588160 1.00 AAK1 (0.43) AAK1PDE10AHSD11B1KDM4DSPR
SCHEMBL27834291 0.84 MCHR1 (0.38) NOTUM
SCHEMBL25247127 0.81 PDE10A (0.46) AAK1PDE10AHSD11B1KDM4DSPR
SCHEMBL1588854 0.81 AAK1 (0.43) AAK1PDE10AHSD11B1KDM4DSPR
SCHEMBL1588855 0.81 AAK1 (0.43) AAK1PDE10AHSD11B1KDM4DSPR
SCHEMBL1588310 0.81 HRH4 (0.56) AAK1PDE10AHSD11B1KDM4DSPR
SCHEMBL1589308 0.79 HSD11B1 (0.43) AAK1PDE10AHSD11B1KDM4D
SCHEMBL1589310 0.79 HSD11B1 (0.43) AAK1PDE10AHSD11B1KDM4D
SCHEMBL2801395 0.79 PDE10A (0.48) AAK1PDE10AHSD11B1KDM4DSPR
SCHEMBL1588448 0.78 SUV39H2 (0.50) PDE10AJAK3

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-8841287-B2 Diamino-pyridine, pyrimidine, and pyrazine modulators of the histamine H4 receptor JANSSEN PHARMACEUTICA N.V. (BE) 2014-09-23 US disclosed
US-20110092474-A1 Diamino-pyridine, pyrimidine, and pyrazine modulators of the histamine H4 receptor JANSSEN PHARMACEUTICA NV 2011-04-21 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-20110092474-A1 Diamino-pyridine, pyrimidine, and pyrazine modulators of the histamine H4 receptor HRH4, HRH3, HRH2 AAK1 744/4885PDE10A 3669/4885HSD11B1 4623/4885

“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.