SCHEMBL3888917

SCHEMBL3888917

Brc1ccccc1OCCNCc1cccnc1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.64
MEN1 O00255 1/20 0.64
KMT2A Q03164 1/20 0.64
LMNA P02545 2/20 0.55
MAPK1 P28482 1/20 0.55
SCN8A Q9UQD0 1/20 0.54
CYP1A2 P05177 1/20 0.53
CYP2D6 P10635 1/20 0.53
CHRM2 P08172 1/20 0.52
HTR2A P28223 1/20 0.52
HTR2C P28335 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
ALDH1A1 P00352 1/20 0.51
POLB P06746 1/20 0.51
NMT2 O60551 2/20 0.51
NMT1 P30419 2/20 0.51
DRD2 P14416 1/20 0.49
DRD4 P21917 1/20 0.49
DRD3 P35462 1/20 0.49

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
SCHEMBL3899010 0.85 MEN1 (0.68) KDM4EMEN1KMT2ALMNAHTR2A
SCHEMBL3886574 0.84 MEN1 (0.86) KDM4EMEN1KMT2ALMNAPOLB
SCHEMBL11712614 0.84 HTR1A (0.58) LMNASCN8ACYP1A2CYP2D6CHRM2
SCHEMBL10859977 0.80 SCN8A (0.60) MEN1KMT2AMAPK1SCN8ACYP1A2
SCHEMBL3896962 0.80 KMT2A (0.78) KDM4EMEN1KMT2ALMNASCN8A
SCHEMBL7388676 0.80 MEN1 (0.58) KDM4EMEN1KMT2ALMNASCN8A
SCHEMBL3886658 0.77 MEN1 (0.70) KDM4EMEN1KMT2ALMNAMAPK1
SCHEMBL3899862 0.76 RAB9A (0.58) KDM4EMEN1KMT2ALMNAMAPK1
SCHEMBL7097610 0.76 SCN8A (0.58) MAPK1SCN8ACYP1A2CYP2D6CHRM2
SCHEMBL29875178 0.75 CYP1A2 (0.83) MEN1KMT2ALMNASCN8ACYP1A2

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 KDM4E 343/4885MEN1 4523/4885KMT2A 270/4885
US-20060111431-A1 Thiophene carboxanmides as inhibitors of the enzyme ikk-2 RELA, NFKBIA, CHUK KDM4E 550/4885MEN1 4269/4885KMT2A 544/4885

“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.