SCHEMBL805367

SCHEMBL805367

CC1CC(Nc2nccc(N[C@H]3CC[C@@H](COS(N)(=O)=O)C3)n2)c2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NAE1 Q13564 9/20 0.43
UBA3 Q8TBC4 9/20 0.43
CDK7 P50613 1/20 0.36
CDK9 P50750 1/20 0.36
MERTK Q12866 1/20 0.33
MAPK9 P45984 3/20 0.33
MAPK8 P45983 3/20 0.33
UBA1 P22314 1/20 0.32
UBE2E1 P51965 1/20 0.32
CDC7 O00311 1/20 0.32
PIM1 P11309 1/20 0.32
GSK3B P49841 1/20 0.32
PLK1 P53350 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32

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
SCHEMBL782980 0.81 NAE1 (0.68) NAE1UBA3UBA1UBE2E1
SCHEMBL17145363 0.81 NAE1 (0.68) NAE1UBA3UBA1UBE2E1
SCHEMBL18540533 0.78 NAE1 (0.56) NAE1UBA3UBA1UBE2E1
SCHEMBL805391 0.77 NAE1 (0.68) NAE1UBA3MERTKCDC7GSK3B
SCHEMBL805406 0.76 NAE1 (0.45) NAE1UBA3MAPK9MAPK8CYP1A2
SCHEMBL10283699 0.73 NAE1 (0.55) NAE1UBA3CA1CA2
SCHEMBL2879594 0.71 NAE1 (0.49) NAE1UBA3CA1CA2
SCHEMBL2879589 0.71 NAE1 (0.49) NAE1UBA3CA1CA2
SCHEMBL805408 0.70 NAE1 (0.64) NAE1UBA3CA1CA2
SCHEMBL10283692 0.70 NAE1 (0.64) NAE1UBA3CA1CA2

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-20120071482-A1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF E1 ACTIVATING ENZYMES MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-03-22 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-20120071482-A1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF E1 ACTIVATING ENZYMES RCE1, ECE1, UBE2E1 NAE1 24/4885UBA3 6/4885CDK7 85/4885

“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.