SCHEMBL6159732

SCHEMBL6159732

Brc1[nH]nnc1-c1ccccn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.46
LMNA P02545 3/20 0.46
CCR1 P32246 2/20 0.46
CCR5 P51681 2/20 0.46
CCR8 P51685 2/20 0.46
CYP1A2 P05177 1/20 0.46
POLB P06746 1/20 0.46
METAP1 P53582 1/20 0.46
BLM P54132 1/20 0.46
HIF1A Q16665 1/20 0.46
DOHH Q9BU89 1/20 0.46
P4HTM Q9NXG6 1/20 0.46
LRRK2 Q5S007 1/20 0.46
NPC1 O15118 7/20 0.45
RAB9A P51151 5/20 0.45
TP53 P04637 4/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
ALOX15 P16050 3/20 0.45
L3MBTL1 Q9Y468 3/20 0.45
HTT P42858 2/20 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
SCHEMBL27901735 0.79 KDM4E (0.48) KDM4ELMNACCR1CCR5CCR8
SCHEMBL18154008 0.78 KDM4E (0.46) KDM4ELMNACCR1CCR5CCR8
SCHEMBL17604586 0.78 KDM4E (0.50) KDM4ELMNACCR1CCR5CCR8
SCHEMBL28038943 0.76 KDM4E (0.47) KDM4ELMNACCR1CCR5CCR8
SCHEMBL27981803 0.75 TGFBR1 (0.49) KDM4ELMNACCR1CCR5CCR8
SCHEMBL27627822 0.75 LRRK2 (0.44) KDM4ELMNACCR1CCR5CCR8
SCHEMBL28919851 0.74 LRRK2 (0.54) KDM4ELMNACCR1CCR5CCR8
SCHEMBL25418897 0.74 LRRK2 (0.42) KDM4ELMNACCR1CCR5CCR8
SCHEMBL28719367 0.74 LRRK2 (0.42) KDM4ELMNACCR1CCR5CCR8
SCHEMBL18005957 0.74 LRRK2 (0.42) KDM4ELMNACCR1CCR5CCR8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050143578-A1 Compounds and methods SMITHKLINE BEECHAM CORPORATION 2005-06-30 US claimed
EP-1434772-A4 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORP (US) 2005-05-04 EP claimed
US-20040192914-A1 Compounds and methods SMITHKLINE BEECHAM CORPORATION 2004-09-30 US claimed
EP-1434772-A1 COMPOUNDS AND METHODS SmithKline Beecham Corporation (US) 2004-07-07 EP claimed
WO-2003031434-A1 COMPOUNDS AND METHODS SMITH KLINE BEECHAM CORPORATION (US) 2003-04-17 WO claimed
US-20050143578-A1 Compounds and methods SMITHKLINE BEECHAM CORPORATION 2005-06-30 US disclosed
EP-1434772-A4 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORP (US) 2005-05-04 EP disclosed
US-20040192914-A1 Compounds and methods SMITHKLINE BEECHAM CORPORATION 2004-09-30 US disclosed
EP-1434772-A1 COMPOUNDS AND METHODS SmithKline Beecham Corporation (US) 2004-07-07 EP disclosed
WO-2003031434-A1 COMPOUNDS AND METHODS SMITH KLINE BEECHAM CORPORATION (US) 2003-04-17 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-20040192914-A1 Compounds and methods METAP2, METAP1, DNPEP KDM4E 1697/4885LMNA 4649/4885CCR1 2243/4885
US-20050143578-A1 Compounds and methods METAP2, METAP1, DNPEP KDM4E 1531/4885LMNA 4588/4885CCR1 2543/4885

“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.