SCHEMBL19035663

SCHEMBL19035663

C[C@@H]1CN(c2cnccn2)C[C@H](C)N1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.43
GRM1 Q13255 2/20 0.42
LMNA P02545 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
GPR119 Q8TDV5 2/20 0.39
CDK4 P11802 1/20 0.39
RXFP1 Q9HBX9 1/20 0.38
SORD Q00796 1/20 0.38
EIF2AK4 Q9P2K8 1/20 0.38
DRD4 P21917 1/20 0.37
GHSR Q92847 1/20 0.37
HDAC1 Q13547 1/20 0.37

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
SCHEMBL20135189 1.00 KDM4E (0.43) KDM4EGRM1LMNAL3MBTL1GPR119
SCHEMBL13703142 0.83 KDM4E (0.46) KDM4EGRM1LMNAL3MBTL1GPR119
SCHEMBL19035610 0.79 GRM1 (0.47) KDM4EGRM1LMNAL3MBTL1GPR119
SCHEMBL82255 0.76 HDAC1 (0.40) GPR119CDK4EIF2AK4HDAC1
SCHEMBL28478019 0.76 GRM1 (0.44) KDM4EGRM1LMNAL3MBTL1GPR119
SCHEMBL20064219 0.76 GRM1 (0.44) KDM4EGRM1LMNAL3MBTL1GPR119
SCHEMBL31357440 0.76 GRM1 (0.44) KDM4EGRM1LMNAL3MBTL1GPR119
SCHEMBL28478020 0.76 GRM1 (0.44) KDM4EGRM1LMNAL3MBTL1GPR119
SCHEMBL13149760 0.75 PLD1 (0.51) KDM4EGRM1HDAC1
SCHEMBL12525383 0.75 KDM4E (0.50) KDM4EGRM1LMNAL3MBTL1GPR119

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10301267-B2 Compounds ASTRAZENECA AB (SE) 2019-05-28 US disclosed
US-20170260143-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2017-09-14 US disclosed
US-9688640-B2 Methods of treating cancer with a pyrazole derivative ASTRAZENECA AB (SE) 2017-06-27 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 (2 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-10301267-B2 Compounds SLC10A1, CYP11B1, ABCB11 KDM4E 2865/4885GRM1 3550/4885LMNA 2866/4885
US-20170260143-A1 NOVEL COMPOUNDS SLC10A1, ABCB11, CYP11B1 KDM4E 3393/4885GRM1 2839/4885LMNA 3279/4885

“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.