SCHEMBL15053771

SCHEMBL15053771

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GOT1 P17174 1/20 0.41
MAP3K7 O43318 1/20 0.38
CNR1 P21554 1/20 0.37
P2RY1 P47900 1/20 0.37
AURKA O14965 4/20 0.36
AURKB Q96GD4 4/20 0.36
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
JAK3 P52333 2/20 0.36
JAK2 O60674 1/20 0.36
TYK2 P29597 1/20 0.36
BRAF P15056 3/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP3A5 P20815 1/20 0.35
CIT O14578 2/20 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
SCHEMBL15053796 0.92 CCR3 (0.41) JAK2BRAFCYP2C9CYP3A4MEN1
SCHEMBL3705534 0.92 GOT1 (0.42) GOT1MAP3K7CNR1P2RY1AURKA
SCHEMBL15052837 0.90 AURKA (0.42) MAP3K7AURKAAURKBLYNIGF1R
SCHEMBL15053103 0.90 MAP3K7 (0.39) GOT1MAP3K7AURKAAURKBLYN
SCHEMBL15053541 0.90 BTK (0.40) GOT1MAP3K7CNR1AURKAAURKB
SCHEMBL15053470 0.90 BTK (0.40) MAP3K7AURKAAURKBLYNIGF1R
SCHEMBL15053942 0.90 JAK2 (0.38) JAK2BRAFCYP2C9CYP3A4CIT
SCHEMBL15053064 0.90 MAP3K7 (0.41) MAP3K7AURKAAURKBLYNIGF1R
SCHEMBL15054399 0.89 P2RY1 (0.40) GOT1CNR1P2RY1METBRAF
SCHEMBL15052843 0.88 BRAF (0.45) GOT1MAP3K7P2RY1AURKAAURKB

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 GOT1 1829/4885MAP3K7 48/4885CNR1 2751/4885

“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.