SCHEMBL18527005

SCHEMBL18527005

O[C@H]1[CH]C[C@@H](Nc2ncnc3[nH]c(-c4cccc5ccccc45)nc23)C1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PI4KA P42356 1/20 0.42
PI4K2B Q8TCG2 1/20 0.42
PI4K2A Q9BTU6 1/20 0.42
PI4KB Q9UBF8 1/20 0.42
NAE1 Q13564 4/20 0.38
UBA3 Q8TBC4 4/20 0.38
RPS6KB1 P23443 5/20 0.34
AURKA O14965 3/20 0.34
PIM1 P11309 4/20 0.33
PIM2 Q9P1W9 4/20 0.33
JAK3 P52333 2/20 0.32
CSNK2B P67870 1/20 0.32
CSNK2A1 P68400 1/20 0.32
ADORA3 P0DMS8 1/20 0.31
ADORA2A P29274 1/20 0.31
ADORA1 P30542 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
SCHEMBL15007085 0.83 NAE1 (0.43) PI4KAPI4K2BPI4K2API4KBNAE1
SCHEMBL15007086 0.83 NAE1 (0.43) PI4KAPI4K2BPI4K2API4KBNAE1
SCHEMBL18526997 0.82 NAE1 (0.38) NAE1UBA3RPS6KB1AURKAADORA3
SCHEMBL782553 0.76 NAE1 (0.67) NAE1UBA3
SCHEMBL18526984 0.75 NAE1 (0.47) PI4KAPI4K2BPI4K2API4KBNAE1
SCHEMBL2878887 0.75 ERBB2 (0.36) NAE1UBA3ADORA3ADORA2AADORA1
SCHEMBL805407 0.73 NAE1 (0.61) PI4KAPI4K2BPI4K2API4KBNAE1
SCHEMBL782705 0.72 PI4KA (0.56) PI4KAPI4K2BPI4K2API4KBNAE1
SCHEMBL18526990 0.71 EGFR (0.37) ADORA3ADORA1
SCHEMBL15007338 0.70 NAE1 (0.46) NAE1UBA3ADORA3ADORA2AADORA1

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-9718788-B2 Heteroaryl compounds useful as inhibitors of E1 activating enzymes MILLENNIUM PHARMACEUTICALS, INC. (US) 2017-08-01 US disclosed
US-20170050935-A1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF E1 ACTIVATING ENZYMES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-02-23 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-20170050935-A1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF E1 ACTIVATING ENZYMES RCE1, ECE1, UBE2E1 PI4KA 1753/4885PI4K2B 2642/4885PI4K2A 2072/4885

“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.