SCHEMBL3899010

SCHEMBL3899010

Brc1ccccc1OCCNCc1ccncc1

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.68
KMT2A Q03164 3/20 0.68
KDM4E B2RXH2 2/20 0.68
DRD4 P21917 6/20 0.52
DRD2 P14416 5/20 0.52
DRD3 P35462 5/20 0.52
HTR6 P50406 1/20 0.51
HTR2A P28223 1/20 0.47
HTR2C P28335 1/20 0.47
LMNA P02545 3/20 0.46
NPSR1 Q6W5P4 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.44
ALDH1A1 P00352 2/20 0.44
HTT P42858 1/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43

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
SCHEMBL3886574 0.88 MEN1 (0.86) MEN1KMT2AKDM4EDRD4DRD2
SCHEMBL3888917 0.85 KDM4E (0.64) MEN1KMT2AKDM4EDRD4DRD2
SCHEMBL3886658 0.84 MEN1 (0.70) MEN1KMT2AKDM4EDRD4DRD2
SCHEMBL3896962 0.83 KMT2A (0.78) MEN1KMT2AKDM4EDRD4DRD2
SCHEMBL11711163 0.82 HTR1A (0.58) KDM4EDRD4DRD2DRD3HTR6
SCHEMBL3899862 0.79 RAB9A (0.58) MEN1KMT2AKDM4EHTR6HTR2A
SCHEMBL7388676 0.78 MEN1 (0.58) MEN1KMT2AKDM4EDRD4DRD2
SCHEMBL11701339 0.76 DRD4 (0.77) MEN1KMT2AKDM4EDRD4DRD2
SCHEMBL25471321 0.73 HTR1B (0.62) MEN1KMT2AKDM4EDRD4DRD2
SCHEMBL5735754 0.73 KDM4E (0.56) MEN1KMT2AKDM4EDRD4DRD2

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-20090215829-A1 THIOPHENE CARBOXAMIDES AS INHIBITORS OF THE ENZYME IKK-2 MORLEY ANDREW DAVID 2009-08-27 US disclosed
US-7553868-B2 Thiophene carboxamides as inhibitors of the enzyme IKK-2 ASTRAZENECA AB (SE) 2009-06-30 US disclosed
EP-1583756-B9 THIOPHENE CARBOXAMIDES AS INHIBITORS OF THE ENZYME IKK-2 ASTRAZENECA AB (SE) 2008-01-09 EP disclosed
EP-1583756-B1 THIOPHENE CARBOXAMIDES AS INHIBITORS OF THE ENZYME IKK-2 ASTRAZENECA AB (SE) 2007-10-03 EP disclosed
US-20060111431-A1 Thiophene carboxanmides as inhibitors of the enzyme ikk-2 ASTRAZENECA AB (SE) 2006-05-25 US disclosed
EP-1583756-A1 THIOPHENE CARBOXAMIDES AS INHIBITORS OF THE ENZYME IKK-2 AstraZeneca AB (SE) 2005-10-12 EP disclosed
WO-2004063185-A1 THIOPHENE CARBOXAMIDES AS INHIBITORS OF THE ENZYME IKK-2 ASTRAZENECA AB (SE) 2004-07-29 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 (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-20090215829-A1 THIOPHENE CARBOXAMIDES AS INHIBITORS OF THE ENZYME IKK-2 RELA, NFKBIA, CSNK1E MEN1 4523/4885KMT2A 270/4885KDM4E 343/4885
US-20060111431-A1 Thiophene carboxanmides as inhibitors of the enzyme ikk-2 RELA, NFKBIA, CHUK MEN1 4269/4885KMT2A 544/4885KDM4E 550/4885

“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.