SCHEMBL19961908

SCHEMBL19961908

CC[C@H]1O[C@@H](n2cnc3c(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)ncnc32)[C@H](F)[C@@H]1C

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.46
NT5E P21589 3/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
ALOX15 P16050 1/20 0.40
KMT2A Q03164 1/20 0.40
ENTPD3 O75355 1/20 0.40
ENPP1 P22413 1/20 0.40
ENTPD1 P49961 1/20 0.40
DOT1L Q8TEK3 1/20 0.39
ADORA1 P30542 2/20 0.39
NPEPPS P55786 3/20 0.39
RGS12 O14924 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
GNAI1 P63096 1/20 0.38
ADORA2A P29274 1/20 0.38

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
SCHEMBL19961910 0.93 LMNA (0.46) LMNAADORA1NPEPPSCYP3A4ADORA2A
SCHEMBL19961888 0.87 NT5E (0.46) LMNANT5EADORA1ADORA2A
SCHEMBL19961897 0.85 LMNA (0.43) LMNANT5EKDM4EMEN1CYP1A2
SCHEMBL19961912 0.80 NT5E (0.51) LMNANT5E
SCHEMBL19961874 0.80 PDE2A (0.49) LMNANT5EADORA1ADORA2A
SCHEMBL889648 0.79 HIF1A (0.49) ENPP1
SCHEMBL19949034 0.78 NT5E (0.43) LMNANT5EKDM4EMEN1CYP1A2
SCHEMBL18571623 0.77 PI4KA (0.62) LMNAADORA1NPEPPSADORA2A
SCHEMBL18512601 0.76 PI4KA (0.54) LMNADOT1LADORA1NPEPPS
SCHEMBL12151645 0.76 SMN1; SMN2 (0.42) NT5EMEN1KMT2ADOT1LADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180072742-A1 ECTONUCLEOTIDASE INHIBITORS AND METHODS OF USE THEREOF ANTENGENE THERAPEUTICS LIMITED (CN) 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 (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-20180072742-A1 ECTONUCLEOTIDASE INHIBITORS AND METHODS OF USE THEREOF NT5E, ENTPD5, NT5C2 LMNA 2684/4885NT5E 1/4885KDM4E 2596/4885

“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.