SCHEMBL942896

SCHEMBL942896

CCc1c(C(=O)O)oc2c(N3CCN(Cc4ccccc4)CC3)cc(F)cc12

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.43
MEN1 O00255 5/20 0.43
PRMT1 Q99873 1/20 0.42
GAA P10253 1/20 0.41
SRPK1 Q96SB4 1/20 0.41
NCF1 P14598 1/20 0.40
NPY2R P49146 1/20 0.40
DRD2 P14416 1/20 0.40
DRD4 P21917 1/20 0.40
DRD3 P35462 1/20 0.40
POLB P06746 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39

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
SCHEMBL12943597 0.79 GRIN2B (0.45) NCF1NPY2RDRD4
SCHEMBL932530 0.78 GRIN2B (0.44) SRPK1NCF1NPY2R
SCHEMBL4990432 0.77 HTR1B (0.46) KMT2AMEN1GAADRD3
SCHEMBL13020353 0.77 NCF1 (0.45) KMT2AMEN1PRMT1SRPK1NCF1
SCHEMBL932185 0.75 PRMT1 (0.57) PRMT1DRD2DRD4DRD3MAPK1
SCHEMBL931032 0.74
Lithium Ion SCHEMBL3787496 0.74 GRIN2B (0.43) SRPK1NCF1NPY2R
SCHEMBL12466541 0.71 PTGDR2 (0.47) MAPK1
SCHEMBL7474178 0.69 MEN1 (0.51) KMT2AMEN1DRD4MAPK1
SCHEMBL12000243 0.67 DRD4 (0.64) DRD2DRD4DRD3POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8859534-B2 2-carboxamide-7-piperazinyl-benzofuran derivatives Acturum Life Science AB (SE) 2014-10-14 US disclosed
EP-2448934-B1 2-CARBOXAMIDE-7-PIPERAZINYL-BENZOFURAN DERIVATIVES ASTRAZENECA AB (SE) 2014-05-21 EP disclosed
US-20130296296-A1 2-Carboxamide-7-Piperazinyl-Benzofuran Derivatives Acturum Life Science AB (SE) 2013-11-07 US disclosed
US-8367676-B2 2-carboxamide-7-piperazinyl-benzofuran derivatives 774 ASTRAZENECA AB (SE) 2013-02-05 US disclosed
EP-2448934-A1 2-CARBOXAMIDE-7-PIPERAZINYL-BENZOFURAN DERIVATIVES 774 AstraZeneca AB (SE) 2012-05-09 EP disclosed
WO-2011002405-A1 2-CARBOXAMIDE-7-PIPERAZINYL-BENZOFURAN DERIVATIVES 774 ASTRAZENECA AB (SE) 2011-01-06 WO disclosed
US-20100331341-A1 2-CARBOXAMIDE-7-PIPERAZINYL-BENZOFURAN DERIVATIVES 774 ASTRAZENECA AB (SE) 2010-12-30 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 (2 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-20100331341-A1 2-CARBOXAMIDE-7-PIPERAZINYL-BENZOFURAN DERIVATIVES 774 C1R, HTR4, HTR2C KMT2A 534/4885MEN1 1580/4885PRMT1 412/4885
US-20130296296-A1 2-Carboxamide-7-Piperazinyl-Benzofuran Derivatives C1R, CBR1, HTR2C KMT2A 519/4885MEN1 1913/4885PRMT1 452/4885

“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.