SCHEMBL13622629

SCHEMBL13622629

O=C(O)CC1CCN(c2ncccn2)CC1

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.63
CYP2C19 P33261 1/20 0.63
ADRA1D P25100 2/20 0.49
ADRA1A P35348 2/20 0.49
ADRA1B P35368 2/20 0.49
FFAR4 Q5NUL3 6/20 0.48
LMNA P02545 1/20 0.48
GPR119 Q8TDV5 1/20 0.46
ALDH1A1 P00352 3/20 0.45
HPGD P15428 1/20 0.45
TDP1 Q9NUW8 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44

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 SCHEMBL1024081 0.91 KDM4E (0.54) KDM4ECYP2C19ADRA1DADRA1AADRA1B
SCHEMBL3718504 0.85 KDM4E (0.57) KDM4ECYP2C19ADRA1DADRA1AADRA1B
SCHEMBL19134111 0.85 FFAR4 (0.61) FFAR4
SCHEMBL10324823 0.83 CHRM4 (0.49) KDM4ECYP2C19FFAR4
SCHEMBL13622628 0.83 FFAR4 (0.47) FFAR4
SCHEMBL13622621 0.81 ALDH1A1 (0.62) KDM4EGPR119ALDH1A1HPGDNPSR1
SCHEMBL26126580 0.79 CHRM4 (0.45) FFAR4
SCHEMBL26124974 0.79 CHRM2 (0.50) FFAR4GPR119
SCHEMBL460460 0.79 KDM4E (0.56) KDM4ECYP2C19ADRA1DADRA1AADRA1B
SCHEMBL13669860 0.78 KMT2A (0.48) KDM4EFFAR4ALDH1A1

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 5 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
WO-2009132202-A2 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS INCYTE CORPORATION (US) 2009-10-29 WO 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 248/4885CYP2C19 2221/4885ADRA1D 4511/4885

“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.