SCHEMBL3745909

SCHEMBL3745909

CC(C)(C)OC(=O)Nc1noc2cc(CNC(=O)Cc3c(C#N)ccc(Cl)[n+]3[O-])ccc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.37
NSD2 O96028 1/20 0.34
PRMT5 O14744 1/20 0.33
WDR77 Q9BQA1 1/20 0.33
HDAC1 Q13547 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
P2RX7 Q99572 3/20 0.32
PDCD1 Q15116 3/20 0.32
CD274 Q9NZQ7 3/20 0.32
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
CACNA1H O95180 1/20 0.31
TP53 P04637 1/20 0.31
ALOX15 P16050 1/20 0.31
TSHR P16473 1/20 0.31
KCNJ6 P48051 1/20 0.31
KCNJ3 P48549 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
AURKA O14965 1/20 0.30
RPS6KB1 P23443 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
SCHEMBL3735682 0.94 NSD2 (0.34) F2NSD2PRMT5WDR77HDAC1
SCHEMBL3735970 0.82 F2 (0.55) F2NSD2
SCHEMBL3745661 0.76 F2 (0.50) F2NSD2AURKARPS6KB1
SCHEMBL3740741 0.74 NR1H4 (0.33) NSD2
SCHEMBL25678133 0.66 CA12 (0.45) HDAC1HDAC6TP53SMN1; SMN2
SCHEMBL3309178 0.65 CA12 (0.42) HDAC1HDAC6NPC1RAB9ATP53
SCHEMBL25054189 0.65 GRM2 (0.47) F2HDAC1HDAC6AURKA
SCHEMBL30386922 0.65 GRM2 (0.47) F2HDAC1HDAC6AURKA
SCHEMBL12636152 0.65 TP53 (0.55) NPC1RAB9ATP53ALOX15TSHR
SCHEMBL17202831 0.64 TP53 (0.42) HDAC1HDAC6NPC1RAB9ATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7829584-B2 Pyridines and pyridine N-oxides as modulators of thrombin JANSSEN PHARMACEUTICA NV (BE) 2010-11-09 US disclosed
US-7829584-B2 Pyridines and pyridine N-oxides as modulators of thrombin JANSSEN PHARMACEUTICA NV (BE) 2010-11-09 US disclosed
US-20070225282-A1 PYRIDINES AND PYRIDINE N-OXIDES AS MODULATORS OF THROMBIN JANSSEN PHARMACEUTICA, N.V. (BE) 2007-09-27 US disclosed
US-20070225282-A1 PYRIDINES AND PYRIDINE N-OXIDES AS MODULATORS OF THROMBIN JANSSEN PHARMACEUTICA, N.V. (BE) 2007-09-27 US disclosed
WO-2007109459-A2 PYRIDINES AND PYRIDINE N-OXIDES AS MODULATORS OF THROMBIN JANSSEN PHARMACEUTICA, NV (BE) 2007-09-27 WO 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-20070225282-A1 PYRIDINES AND PYRIDINE N-OXIDES AS MODULATORS OF THROMBIN F2, F11, TBXAS1 F2 1/4885NSD2 3060/4885PRMT5 324/4885

“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.