SCHEMBL15053103

SCHEMBL15053103

[2H]C([2H])(c1ccnc2[nH]ccc12)N1CCc2c(NC(=O)Nc3ccc(Br)cc3)cccc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP3K7 O43318 1/20 0.39
GOT1 P17174 1/20 0.39
STING1 Q86WV6 1/20 0.38
AURKA O14965 8/20 0.37
AURKB Q96GD4 8/20 0.37
FPR2 P25090 1/20 0.37
LYN P07948 1/20 0.36
IGF1R P08069 1/20 0.36
MET P08581 1/20 0.36
ROCK1 Q13464 1/20 0.36
INCENP Q9NQS7 1/20 0.36
CIT O14578 1/20 0.36
BTK Q06187 5/20 0.35
BRAF P15056 2/20 0.35
KDR P35968 1/20 0.35
MAPK14 Q16539 1/20 0.35
TNNI3K Q59H18 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35

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
SCHEMBL15052837 0.92 AURKA (0.42) MAP3K7AURKAAURKBLYNIGF1R
SCHEMBL15054385 0.92 STING1 (0.41) MAP3K7STING1BTKBRAFCYP1A2
SCHEMBL15053541 0.92 BTK (0.40) MAP3K7GOT1STING1AURKAAURKB
SCHEMBL15053470 0.92 BTK (0.40) MAP3K7STING1AURKAAURKBLYN
SCHEMBL15053064 0.92 MAP3K7 (0.41) MAP3K7STING1AURKAAURKBLYN
SCHEMBL3709593 0.92 MAP3K7 (0.40) MAP3K7GOT1STING1AURKAAURKB
SCHEMBL15052843 0.90 BRAF (0.45) MAP3K7GOT1STING1AURKAAURKB
SCHEMBL15052963 0.90 BTK (0.35) MAP3K7AURKAAURKBBTKBRAF
SCHEMBL15053275 0.90 MAP3K7 (0.44) MAP3K7GOT1METCITBTK
SCHEMBL15053771 0.90 GOT1 (0.41) MAP3K7GOT1AURKAAURKBLYN

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-20130165475-A1 DEUTERIUM-ENRICHED HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS ASCEPION PHARMACEUTICALS, INC. (CN) 2013-06-27 US claimed
US-20130165475-A1 DEUTERIUM-ENRICHED HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS ASCEPION PHARMACEUTICALS, INC. (CN) 2013-06-27 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-20130165475-A1 DEUTERIUM-ENRICHED HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS CDK2, CDK1, CDK3 MAP3K7 48/4885GOT1 1829/4885STING1 2889/4885

“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.