SCHEMBL10068249

SCHEMBL10068249

CNC(=O)c1cc2c(N3CCN(C(=O)OC(C)(C)C)CC3)cccc2o1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 6/20 0.57
MAPK8 P45983 1/20 0.45
KIT P10721 1/20 0.43
SMARCA2 P51531 1/20 0.43
SMARCA4 P51532 1/20 0.43
PBRM1 Q86U86 1/20 0.43
KDM4E B2RXH2 1/20 0.43
NPC1 O15118 1/20 0.43
ALDH1A1 P00352 1/20 0.43
RAB9A P51151 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA4 P22748 1/20 0.43
CA5A P35218 1/20 0.43
CA7 P43166 1/20 0.43
CA5B Q9Y2D0 1/20 0.43
LMNA P02545 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41

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
SCHEMBL9954861 0.85 ALDH1A1 (0.47) BACE1KDM4ENPC1ALDH1A1RAB9A
SCHEMBL30725419 0.83 BACE1 (0.49) BACE1ALDH1A1CA12CA1CA2
SCHEMBL10069100 0.83 BACE1 (0.49) BACE1ALDH1A1CA12CA1CA2
SCHEMBL15985793 0.81 BACE1 (0.47) BACE1MAPK8KITSMARCA2SMARCA4
SCHEMBL9955994 0.77 MAOB (0.53) BACE1KDM4ENPC1ALDH1A1RAB9A
SCHEMBL15985821 0.76 ALDH1A1 (0.45) BACE1SMARCA2SMARCA4PBRM1ALDH1A1
SCHEMBL21360304 0.76 BACE1 (0.54) BACE1SMARCA2SMARCA4PBRM1KDM4E
SCHEMBL428468 0.76 GPR119 (0.46) BACE1KITSMARCA2SMARCA4PBRM1
SCHEMBL13651529 0.74 BACE1 (0.50) BACE1KITSMARCA2SMARCA4PBRM1
SCHEMBL430853 0.74 BACE1 (0.55) BACE1KITSMARCA2SMARCA4PBRM1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2655365-B1 2-CARBOXAMIDE-4-PIPERAZINYL-BENZOFURAN DERIVATIVE Acturum Life Science AB (SE) 2015-12-16 EP disclosed
US-9012457-B2 2-carboxamide-4-piperazinyl-benzofuran derivative ASTRAZENECA AB (SE) 2015-04-21 US disclosed
US-9012457-B2 2-carboxamide-4-piperazinyl-benzofuran derivative ASTRAZENECA AB (SE) 2015-04-21 US disclosed
US-20140329830-A1 2-CARBOXAMIDE-4-PIPERAZINYL-BENZOFURAN DERIVATIVE ASTRAZENECA AB (SE) 2014-11-06 US disclosed
US-20140329830-A1 2-CARBOXAMIDE-4-PIPERAZINYL-BENZOFURAN DERIVATIVE ASTRAZENECA AB (SE) 2014-11-06 US disclosed
WO-2012087229-A1 2-CARBOXAMIDE-4-PIPERAZINYL-BENZOFURAN DERIVATIVE ASTRAZENECA AB (SE) 2012-06-28 WO 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-20140329830-A1 2-CARBOXAMIDE-4-PIPERAZINYL-BENZOFURAN DERIVATIVE GRIN2C, BDNF, GRIN2A BACE1 20/4885MAPK8 3414/4885KIT 3546/4885

“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.