SCHEMBL20547348

SCHEMBL20547348

O=C1NCCN1c1cc2ccccc2[nH]c1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.46
DAO P14920 1/20 0.46
DDO Q99489 1/20 0.46
KDR P35968 5/20 0.44
CHEK1 O14757 1/20 0.44
GRIN2D O15399 2/20 0.41
GRIN3B O60391 2/20 0.41
GRIN1 Q05586 2/20 0.41
GRIN2A Q12879 2/20 0.41
GRIN2B Q13224 2/20 0.41
GRIN2C Q14957 2/20 0.41
GRIN3A Q8TCU5 2/20 0.41
HRH4 Q9H3N8 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
SCN9A Q15858 1/20 0.40
AOC3 Q16853 2/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA3 P07451 1/20 0.40
CA4 P22748 1/20 0.40

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
SCHEMBL3459225 0.77 HRH4 (0.51) BRD4DAODDOKDRCHEK1
SCHEMBL31149055 0.77 HRH4 (0.51) BRD4DAODDOKDRCHEK1
SCHEMBL29950401 0.77 IDH1 (0.51) BRD4DAODDOKDRCHEK1
SCHEMBL9686105 0.76 BRD4 (0.50) BRD4DAODDOKDRCHEK1
SCHEMBL4543934 0.76 BRD4 (0.50) BRD4DAODDOKDRCHEK1
SCHEMBL6582983 0.75 BRD4 (0.49) BRD4DAODDOKDRCHEK1
SCHEMBL27946461 0.74 ALDH1A1 (0.43) BRD4DAODDOKDRCHEK1
SCHEMBL27946462 0.72 MAPT (0.41) BRD4DAODDOKDRCHEK1
SCHEMBL27946466 0.72 NPC1 (0.42) BRD4DAODDOKDRCHEK1
SCHEMBL3957395 0.72 SCN9A (0.47) SCN9AKDM4EALDH1A1ALOX5APFEN1

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-20180312496-A1 BICYCLIC HETEROCYCLE DERIVATIVES AS BROMODOMAIN INHIBITORS ORION CORP (FI) 2018-11-01 US claimed
US-20180312496-A1 BICYCLIC HETEROCYCLE DERIVATIVES AS BROMODOMAIN INHIBITORS ORION CORP (FI) 2018-11-01 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-20180312496-A1 BICYCLIC HETEROCYCLE DERIVATIVES AS BROMODOMAIN INHIBITORS BRD1, BRD4, BRD2 BRD4 2/4885DAO 4515/4885DDO 4730/4885

“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.