SCHEMBL15052925

SCHEMBL15052925

[2H]C([2H])(c1c[nH]c2ncccc12)n1ccc2c(NC(=O)Nc3ccc(Br)cc3)cccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 1/20 0.41
DRD2 P14416 1/20 0.40
DRD4 P21917 1/20 0.40
DRD3 P35462 1/20 0.40
KMT2A Q03164 4/20 0.39
MEN1 O00255 3/20 0.39
BRAF P15056 3/20 0.38
GOT1 P17174 1/20 0.38
FPR2 P25090 4/20 0.37
MTNR1A P48039 1/20 0.37
GPR84 Q9NQS5 1/20 0.37
NPC1 O15118 2/20 0.36
MAPT P10636 2/20 0.36
RAB9A P51151 2/20 0.36
LMNA P02545 1/20 0.36
CASP3 P42574 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL15052682 0.92 MAPT (0.43) DRD4KMT2AMEN1BRAFMTNR1A
SCHEMBL15052912 0.91 STING1 (0.45) STING1DRD2DRD4DRD3GOT1
SCHEMBL15053874 0.91 RAB9A (0.46) STING1DRD2DRD4DRD3KMT2A
SCHEMBL15053861 0.91 BRAF (0.47) STING1BRAFMTNR1AGPR84NPC1
SCHEMBL15053586 0.91 RAB9A (0.44) STING1KMT2AMEN1BRAFMTNR1A
SCHEMBL3703390 0.91 DRD2 (0.45) STING1DRD2DRD4DRD3KMT2A
Hydrochloric Acid SCHEMBL3700921 0.90 DRD2 (0.45) STING1DRD2DRD4DRD3KMT2A
SCHEMBL15053932 0.89 ITGB2 (0.42) DRD2DRD4DRD3KMT2AMEN1
SCHEMBL15052953 0.89 P2RY1 (0.40) KMT2AMEN1BRAFMTNR1AGPR84
SCHEMBL15053108 0.89 SMN1; SMN2 (0.48) DRD2DRD4DRD3KMT2AMEN1

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 STING1 2889/4885DRD2 2863/4885DRD4 3453/4885

“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.