SCHEMBL19966296

SCHEMBL19966296

CCN(C)CCCNCCO

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.40
PAOX Q6QHF9 2/20 0.39
KDM5A P29375 1/20 0.38
KDM4C Q9H3R0 1/20 0.38
ALDH1A1 P00352 5/20 0.35
CYP2C19 P33261 3/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
TSHR P16473 1/20 0.35
GLA P06280 1/20 0.35
TP53 P04637 2/20 0.33
ALOX15 P16050 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
KDM4E B2RXH2 3/20 0.33
HTT P42858 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MAPK1 P28482 1/20 0.31
MAPT P10636 1/20 0.31
CHRM2 P08172 1/20 0.30

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
SCHEMBL13752280 0.88 CYP2C9 (0.34) TDP1PAOXKDM5AKDM4CCYP2C19
SCHEMBL18331653 0.86 KDM5A (0.38) TDP1PAOXKDM5AKDM4CALDH1A1
SCHEMBL16730591 0.86 TDP1 (0.43) TDP1PAOXALDH1A1CYP2C19MEN1
SCHEMBL9597791 0.84 TDP1 (0.41) TDP1PAOXALDH1A1CYP2C19MEN1
SCHEMBL3608460 0.81 CYP2C19 (0.50) TDP1PAOXKDM5AKDM4CALDH1A1
SCHEMBL2604432 0.80 TDP1 (0.65) TDP1PAOXALDH1A1CYP2C19MEN1
SCHEMBL11465052 0.79 PAOX (0.58) TDP1PAOXALDH1A1CYP2C19MEN1
SCHEMBL24475227 0.78 TDP1 (0.63) TDP1PAOXCYP2C19MEN1KMT2A
SCHEMBL11067996 0.78 TDP1 (0.57) TDP1PAOXCYP2C19MEN1KMT2A
SCHEMBL141928 0.78 TDP1 (0.62) TDP1PAOXALDH1A1CYP2C19MEN1

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 TDP1 618/4885PAOX 1797/4885KDM5A 2064/4885
US-20180072732-A1 6-MORPHOLINYL-2-PYRAZOLYL-9H-PURINE DERIVATIVES AND THEIR USE AS PI3K INHIBITORS PIK3CA, AKT3, AKT2 TDP1 618/4885PAOX 1797/4885KDM5A 2064/4885

“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.