SCHEMBL6408447

SCHEMBL6408447

Fc1ccccc1Oc1cccnc1-c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.50
CYP11B1 P15538 2/20 0.44
CYP11B2 P19099 2/20 0.44
HTR1A P08908 2/20 0.43
SLC6A2 P23975 2/20 0.43
SLC6A4 P31645 1/20 0.43
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
CXCL8 P10145 1/20 0.41
ADORA2A P29274 1/20 0.40
ADORA1 P30542 1/20 0.40
MAPK1 P28482 1/20 0.40
NPC1 O15118 1/20 0.40
MAPT P10636 1/20 0.40
RAB9A P51151 1/20 0.40
SYK P43405 1/20 0.40
AURKB Q96GD4 1/20 0.40
INCENP Q9NQS7 1/20 0.40
FEN1 P39748 1/20 0.40
CYP1A2 P05177 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
SCHEMBL3615820 0.80 CYP11B1 (0.47) KDM4ECYP11B1CYP11B2MEN1KMT2A
SCHEMBL2639667 0.79 FEN1 (0.43) KDM4EFEN1PTGS1PTGS2ALDH1A1
SCHEMBL29604199 0.79 FEN1 (0.43) KDM4EFEN1PTGS1PTGS2ALDH1A1
SCHEMBL28921692 0.77 KDM4E (0.56) KDM4ECYP11B1CYP11B2ADORA2AADORA1
SCHEMBL6408438 0.77 HTR1A (0.50) KDM4EHTR1ASLC6A2SLC6A4MAPK1
Methyl Alcohol SCHEMBL6827618 0.76 SYK (0.47) KDM4ECYP11B1CYP11B2ADORA2AADORA1
SCHEMBL30073089 0.75 KDM4E (0.53) KDM4EHTR1ASLC6A2SLC6A4MEN1
SCHEMBL27930554 0.75 KDM4E (0.53) KDM4EHTR1ASLC6A2SLC6A4MEN1
SCHEMBL11543904 0.75 KDM4E (0.53) KDM4EHTR1ASLC6A2SLC6A4MEN1
SCHEMBL987247 0.74 SYK (0.51) KDM4ECYP11B1CYP11B2KMT2AADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6867210-B2 Aryl substituted pyrimidines EURO-CELTIQUE S.A. (LU) 2005-03-15 US disclosed
US-20050043305-A1 Aryl substituted pyridines, pyrimidines, pyrazines and triazines and the use thereof EURO-CELTIQUE S.A. (LU) 2005-02-24 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 (1 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-20050043305-A1 Aryl substituted pyridines, pyrimidines, pyrazines and triazines and the use thereof CACNA1S, CACNA1C, KYNU KDM4E 2686/4885CYP11B1 2107/4885CYP11B2 2328/4885

“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.