SCHEMBL13622633

SCHEMBL13622633

N#Cc1cccnc1N1CCC(CC(=O)O)CC1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.66
RECQL P46063 1/20 0.66
LDHA P00338 1/20 0.52
DRD2 P14416 1/20 0.51
HTR2A P28223 1/20 0.51
HSD11B1 P28845 2/20 0.50
MALT1 Q9UDY8 1/20 0.50
HDAC2 Q92769 1/20 0.49
ALDH1A1 P00352 2/20 0.48
DRD4 P21917 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
MAPT P10636 1/20 0.47
PANK3 Q9H999 1/20 0.47
FFAR4 Q5NUL3 1/20 0.46
ACKR3 P25106 1/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
PDE4B Q07343 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
Trifluoroacetic Acid SCHEMBL1023728 0.93 KDM4E (0.58) KDM4ERECQLLDHADRD2HTR2A
SCHEMBL1727869 0.84 KDM4E (0.62) KDM4ERECQLLDHADRD2HTR2A
SCHEMBL3110161 0.83 KDM4E (0.79) KDM4ERECQLLDHADRD2HTR2A
SCHEMBL1727887 0.82 KDM4E (0.60) KDM4ERECQLLDHADRD2HTR2A
SCHEMBL1023731 0.81 KDM4E (0.55) KDM4ERECQLLDHADRD2HTR2A
SCHEMBL13669860 0.81 KMT2A (0.48) KDM4ERECQLHSD11B1MALT1ALDH1A1
SCHEMBL13622664 0.80 FFAR4 (0.56) DRD2DRD4FFAR4PDE4B
SCHEMBL13622690 0.80 HRH4 (0.51) KDM4ERECQLALDH1A1TDP1MAPT
SCHEMBL5220690 0.80 KDM4E (0.66) KDM4ERECQLLDHADRD2HTR2A
SCHEMBL1728987 0.79 KDM4E (0.61) KDM4ERECQLLDHADRD2HTR2A

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 4 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-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
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 KDM4E 248/4885RECQL 3387/4885LDHA 3939/4885

“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.