SCHEMBL19966100

SCHEMBL19966100

CN1CCN(CCNI)CC1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CARM1 Q86X55 2/20 0.41
PRMT6 Q96LA8 2/20 0.41
PRMT8 Q9NR22 2/20 0.41
HDAC2 Q92769 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
ACE2 Q9BYF1 1/20 0.39
KDM1A O60341 1/20 0.38
CNR1 P21554 1/20 0.37
PAOX Q6QHF9 1/20 0.36
PRMT1 Q99873 1/20 0.35
KAT2B Q92831 1/20 0.35
MC4R P32245 1/20 0.34
SIGMAR1 Q99720 4/20 0.34
ALDH1A1 P00352 1/20 0.33
PGK1 P00558 1/20 0.33
POLB P06746 1/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL14624313 0.86 PAOX (0.42) ACE2PAOXSIGMAR1ALDH1A1
SCHEMBL19604995 0.83 SLC2A1 (0.40) CARM1PRMT6PRMT8ACE2PRMT1
SCHEMBL18941920 0.80 ACE2 (0.39) CARM1PRMT6PRMT8ACE2PRMT1
SCHEMBL4395015 0.79 ACE2 (0.61) CARM1PRMT6PRMT8HDAC2HDAC8
SCHEMBL14824977 0.79
SCHEMBL2281455 0.77 CARM1 (0.68) CARM1PRMT6PRMT8HDAC2HDAC8
SCHEMBL12829261 0.77 CARM1 (0.68) CARM1PRMT6PRMT8HDAC2HDAC8
SCHEMBL18822914 0.77 CARM1 (0.54) CARM1PRMT6PRMT8SIGMAR1ALDH1A1
SCHEMBL4049413 0.76 ACE2 (0.46) CARM1PRMT6PRMT8HDAC2HDAC8
SCHEMBL5897137 0.75 CARM1 (0.41) CARM1PRMT6PRMT8HDAC2HDAC8

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-10174035-B2 6-morpholinyl-2-pyrazolyl-9H-purine derivatives and their use as PI3K inhibitors DAIICHI SANKYO COMPANY, LIMITED (JP) 2019-01-08 US disclosed
US-20180072732-A1 6-MORPHOLINYL-2-PYRAZOLYL-9H-PURINE DERIVATIVES AND THEIR USE AS PI3K INHIBITORS DAIICHI SANKYO COMPANY, LIMITED (JP) 2018-03-15 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-10174035-B2 6-morpholinyl-2-pyrazolyl-9H-purine derivatives and their use as PI3K inhibitors PIK3CA, AKT3, AKT2 CARM1 1844/4885PRMT6 595/4885PRMT8 685/4885
US-20180072732-A1 6-MORPHOLINYL-2-PYRAZOLYL-9H-PURINE DERIVATIVES AND THEIR USE AS PI3K INHIBITORS PIK3CA, AKT3, AKT2 CARM1 1844/4885PRMT6 595/4885PRMT8 685/4885

“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.