SCHEMBL3899862

SCHEMBL3899862

Brc1ccccc1OCCNCc1ccccn1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.58
MAPT P10636 2/20 0.58
HPGD P15428 1/20 0.58
KDM4E B2RXH2 4/20 0.57
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
CHRM2 P08172 1/20 0.54
SCN8A Q9UQD0 1/20 0.53
HTR2A P28223 1/20 0.53
HTR2C P28335 1/20 0.53
HTR6 P50406 1/20 0.51
LMNA P02545 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
ALOX15 P16050 2/20 0.47
NPC1 O15118 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.46
CYP1A2 P05177 2/20 0.45
SIRT2 Q8IXJ6 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45

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
SCHEMBL11710923 0.82 ALOX15 (0.64) KDM4EMEN1KMT2ACHRM2SCN8A
SCHEMBL3899010 0.79 MEN1 (0.68) RAB9AKDM4EMEN1KMT2AHTR2A
SCHEMBL3886574 0.78 MEN1 (0.86) KDM4EMEN1KMT2AHTR6LMNA
SCHEMBL348655 0.77 CHRM2 (0.78) RAB9AKDM4EMEN1KMT2ACHRM2
SCHEMBL13450919 0.76 CHRM2 (0.62) KDM4EMEN1KMT2ACHRM2SCN8A
SCHEMBL3888917 0.76 KDM4E (0.64) KDM4EMEN1KMT2ACHRM2SCN8A
SCHEMBL25319633 0.76 RAB9A (0.56) RAB9AMAPTHPGDKDM4ELMNA
SCHEMBL3071526 0.75 CHRM2 (0.81) RAB9AKDM4EMEN1KMT2ACHRM2
SCHEMBL284677 0.75 CHRM2 (0.81) RAB9AKDM4EMEN1KMT2ACHRM2
SCHEMBL3886658 0.75 MEN1 (0.70) KDM4EMEN1KMT2ACHRM2SCN8A

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 RAB9A 4041/4885MAPT 2703/4885HPGD 2525/4885
US-20060111431-A1 Thiophene carboxanmides as inhibitors of the enzyme ikk-2 RELA, NFKBIA, CHUK RAB9A 3945/4885MAPT 2867/4885HPGD 2012/4885

“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.