SCHEMBL13623227

SCHEMBL13623227

CNC1CCN(c2ccc(N)cc2CCc2cccc(NC(=O)OC(C)(C)C)c2)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 1/20 0.41
NPY1R P25929 1/20 0.40
PIM1 P11309 1/20 0.40
PIM3 Q86V86 1/20 0.40
PIM2 Q9P1W9 1/20 0.40
TLR7 Q9NYK1 1/20 0.39
USP28 Q96RU2 2/20 0.38
USP25 Q9UHP3 2/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 1/20 0.38
HTR1A P08908 3/20 0.37
HTR1D P28221 3/20 0.37
HTR1B P28222 3/20 0.37
DRD2 P14416 1/20 0.37
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
HTR7 P34969 1/20 0.37
DRD3 P35462 1/20 0.37
HTR2B P41595 1/20 0.37
AKT1 P31749 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
SCHEMBL4354851 0.92 USP30 (0.44) USP30NPY1RPIM1PIM3PIM2
SCHEMBL13623217 0.86 HTR1A (0.42) NPY1RTLR7CYP3A4CYP2C19HTR1A
SCHEMBL13623214 0.85 AKT1 (0.49) NPY1RTLR7CYP3A4CYP2C19AKT1
SCHEMBL1083487 0.82 TLR7 (0.37) USP30NPY1RTLR7CYP3A4CYP2C19
SCHEMBL1083486 0.82 TLR7 (0.37) USP30NPY1RTLR7CYP3A4CYP2C19
SCHEMBL13622510 0.78 AURKA (0.43) NPY1RTLR7CYP3A4CYP2C19AURKA
SCHEMBL13670174 0.78 AURKA (0.43) NPY1RTLR7CYP3A4CYP2C19AURKA
SCHEMBL4365340 0.76 JAK3 (0.39) USP30NPY1RHTR1AHTR1DHTR1B
SCHEMBL13622713 0.76 AURKA (0.48) NPY1RTLR7CYP3A4CYP2C19AURKA
SCHEMBL13669878 0.76 NOX4 (0.45) TLR7CYP3A4CYP2C19AURKARPS6KB1

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-8871753-B2 Macrocyclic compounds and their use as kinase inhibitors INCYTE CORPORATION (US) 2014-10-28 US disclosed
US-20090286778-A1 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS INCYTE CORPORATION (US) 2009-11-19 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-20090286778-A1 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS JAK2, JAK1, ALK USP30 1344/4885NPY1R 3180/4885PIM1 59/4885

“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.