SCHEMBL3887922

SCHEMBL3887922

CN(CCOc1ccccc1Br)Cc1cccnc1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.64
HTR7 P34969 1/20 0.55
CHRNB2 P17787 4/20 0.52
CHRNA4 P43681 4/20 0.52
HTR1D P28221 1/20 0.49
HTR1B P28222 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.47
GAA P10253 1/20 0.47
MAPK1 P28482 1/20 0.45
KDM4E B2RXH2 1/20 0.43
NPY1R P25929 1/20 0.43
NPY2R P49146 1/20 0.43
TSHR P16473 1/20 0.43
CHRNA7 P36544 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42

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
SCHEMBL3888894 0.85 LMNA (0.86) LMNAHTR7HTR1DHTR1BSMN1; SMN2
SCHEMBL3892480 0.81 LMNA (0.49) LMNAHTR7SMN1; SMN2MAPK1KDM4E
SCHEMBL3891235 0.78 LMNA (0.45) LMNAHTR7SMN1; SMN2MAPK1KDM4E
SCHEMBL3894438 0.77 LMNA (0.68) LMNAHTR7HTR1DHTR1BSMN1; SMN2
SCHEMBL3888917 0.74 KDM4E (0.64) LMNASMN1; SMN2MAPK1KDM4E
SCHEMBL10028665 0.73 CHRNB2 (0.85) LMNACHRNB2CHRNA4MAPK1KDM4E
SCHEMBL16627431 0.73 CHRNB2 (0.77) LMNACHRNB2CHRNA4MAPK1KDM4E
SCHEMBL23963374 0.72 CHRNB2 (0.51) CHRNB2CHRNA4TSHRCHRNA7
SCHEMBL1857526 0.72 HTR7 (1.00) LMNAHTR7HTR1BSMN1; SMN2KDM4E
SCHEMBL3894485 0.72 HTR7 (0.59) LMNAHTR7HTR1DHTR1BSMN1; SMN2

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 LMNA 3926/4885HTR7 3100/4885CHRNB2 2287/4885
US-20060111431-A1 Thiophene carboxanmides as inhibitors of the enzyme ikk-2 RELA, NFKBIA, CHUK LMNA 3426/4885HTR7 2954/4885CHRNB2 1771/4885

“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.