SCHEMBL15340427

SCHEMBL15340427

CC(C)c1[nH]cc2c(N)ccnc12

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 3/20 0.39
NCF1 P14598 1/20 0.35
PIM1 P11309 1/20 0.34
PIM3 Q86V86 1/20 0.34
HSP90AA1 P07900 2/20 0.32
HSP90AB1 P08238 2/20 0.32
IDO1 P14902 1/20 0.32
PSMB5 P28074 1/20 0.32
SOS2 Q07890 1/20 0.32
SLC40A1 Q9NP59 1/20 0.31
CCR1 P32246 1/20 0.31
CCR5 P51681 1/20 0.31
CCR8 P51685 1/20 0.31

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
SCHEMBL19397865 0.72 NR4A2 (0.39) NR4A2NCF1PIM1PIM3HSP90AA1
SCHEMBL4390960 0.68 NR4A2 (0.57) NR4A2NCF1PIM1PIM3HSP90AA1
SCHEMBL801938 0.68 CCR1 (0.43) HSP90AA1SLC40A1CCR1CCR5CCR8
SCHEMBL15340424 0.67 NCF1 (0.40) NR4A2NCF1HSP90AA1HSP90AB1IDO1
SCHEMBL1071707 0.66 NR4A2 (0.59) NR4A2NCF1PIM1PIM3HSP90AA1
SCHEMBL16381310 0.62 NR4A2 (0.48) NR4A2NCF1PIM1PIM3HSP90AA1
SCHEMBL25556184 0.60 NR4A2 (0.56) NR4A2NCF1HSP90AA1HSP90AB1SOS2
SCHEMBL12545963 0.60 NR4A2 (0.56) NR4A2NCF1SOS2
SCHEMBL31157800 0.59 PSMD14 (0.61) NR4A2NCF1HSP90AA1HSP90AB1IDO1
SCHEMBL688023 0.59 PSMD14 (0.61) NR4A2NCF1HSP90AA1HSP90AB1IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9487544-B2 Methods for the preparation of diasteromerically pure phosphoramidate prodrugs GILEAD SCIENCES, INC. (US) 2016-11-08 US disclosed
US-20160016980-A1 METHODS FOR THE PREPARATION OF DIASTEROMERICALLY PURE PHOSPHORAMIDATE PRODRUGS GILEAD SCIENCES, INC. 2016-01-21 US disclosed
US-9090642-B2 Methods for the preparation of diasteromerically pure phosphoramidate prodrugs GILEAD SCIENCES, INC. (US) 2015-07-28 US disclosed
US-20130281686-A1 METHODS FOR THE PREPARATION OF DIASTEROMERICALLY PURE PHOSPHORAMIDATE PRODRUGS GILEAD SCIENCES, INC. (US) 2013-10-24 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-20160016980-A1 METHODS FOR THE PREPARATION OF DIASTEROMERICALLY PURE PHOSPHORAMIDATE PRODRUGS PAICS, DPYD, PNP NR4A2 2778/4885NCF1 2420/4885PIM1 1737/4885
US-20130281686-A1 METHODS FOR THE PREPARATION OF DIASTEROMERICALLY PURE PHOSPHORAMIDATE PRODRUGS PAICS, DPYD, PNP NR4A2 2778/4885NCF1 2420/4885PIM1 1737/4885

“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.