SCHEMBL4345561

SCHEMBL4345561

O=c1[nH]cc(Br)c2sc(-c3ccccc3)nc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.41
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
PTP4A3 O75365 1/20 0.37
PTP4A2 Q12974 1/20 0.37
PTP4A1 Q93096 1/20 0.37
ADORA3 P0DMS8 3/20 0.36
ADORA2A P29274 2/20 0.36
ADORA1 P30542 2/20 0.36
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
HTT P42858 1/20 0.36
HSD17B10 Q99714 1/20 0.36
PARP1 P09874 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.35
MAPT P10636 3/20 0.35
NPC1 O15118 2/20 0.35

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
SCHEMBL4506106 0.79 MCL1 (0.48) GSK3BALDH1A1MEN1KMT2APTP4A3
SCHEMBL17856768 0.76 ADORA3 (0.45) ALDH1A1MEN1KMT2AADORA3ADORA2A
SCHEMBL22107960 0.71 ADORA3 (0.39) ALDH1A1MEN1KMT2AADORA3ADORA2A
SCHEMBL4341946 0.71 ALDH1A1 (0.41) ALDH1A1MEN1KMT2AADORA3ADORA2A
SCHEMBL4494878 0.69 GSK3B (0.74) GSK3BALDH1A1PTP4A3PTP4A2PTP4A1
SCHEMBL28561318 0.68 SMN1; SMN2 (0.47) ALDH1A1MEN1KMT2AKDM4EGAA
SCHEMBL4098541 0.68 CHEK1 (0.42) ALDH1A1MEN1KMT2AADORA3ADORA2A
SCHEMBL14703209 0.67 ALDH1A1 (0.44) ALDH1A1MEN1KMT2AADORA3ADORA2A
SCHEMBL14703208 0.66 ALDH1A1 (0.46) ALDH1A1MEN1KMT2AADORA3ADORA2A
SCHEMBL23996305 0.65 ADORA3 (0.45) ALDH1A1MEN1KMT2AADORA3ADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7635695-B2 Antiinflammation agents AMGEN INC. (US) 2009-12-22 US disclosed
US-7635695-B2 Antiinflammation agents AMGEN INC. (US) 2009-12-22 US disclosed
US-7635695-B2 Antiinflammation agents AMGEN INC. (US) 2009-12-22 US disclosed
US-20090275570-A1 SUBSTITUTED HETEROCYCLES AND THEIR USE AS CHK1, PDK1 AND PAK INHIBITORS ASTRAZENECA AB (SE) 2009-11-05 US disclosed
EP-1869052-A1 SUBSTITUTED HETEROCYCLES AND THEIR USE AS CHK1, PDK1 AND PAK INHIBITORS AstraZeneca AB (SE) 2007-12-26 EP disclosed
US-20070155777-A1 Antiinflammation agents AMGEN, INC. 2007-07-05 US disclosed
US-20070155777-A1 Antiinflammation agents AMGEN, INC. 2007-07-05 US disclosed
US-20070155777-A1 Antiinflammation agents AMGEN, INC. 2007-07-05 US disclosed
US-7199119-B2 Antiinflammation agents AMGEN INC. (US) 2007-04-03 US disclosed
US-7199119-B2 Antiinflammation agents AMGEN INC. (US) 2007-04-03 US disclosed
US-7199119-B2 Antiinflammation agents AMGEN INC. (US) 2007-04-03 US disclosed
WO-2006106326-A1 SUBSTITUTED HETEROCYCLES AND THEIR USE AS CHK1, PDK1 AND PAK INHIBITORS ASTRAZENECA AB (SE) 2006-10-12 WO disclosed
EP-1556053-A4 ANTIINFLAMMATION AGENTS AMGEN INC (US) 2006-04-19 EP disclosed
EP-1556053-A1 ANTIINFLAMMATION AGENTS Amgen Inc. (US) 2005-07-27 EP disclosed
WO-2004041285-A1 ANTIINFLAMMATION AGENTS AMGEN INC. (US) 2004-05-21 WO disclosed
US-20040097485-A1 Antiinflammation agents TULARIK INC. 2004-05-20 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 (3 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-20090275570-A1 SUBSTITUTED HETEROCYCLES AND THEIR USE AS CHK1, PDK1 AND PAK INHIBITORS CHEK1, PDK1, CHEK2 GSK3B 256/4885ALDH1A1 1677/4885MEN1 1924/4885
US-20070155777-A1 Antiinflammation agents TNF, NFATC1, NFKBIA GSK3B 1989/4885ALDH1A1 3037/4885MEN1 4619/4885
US-20040097485-A1 Antiinflammation agents TNF, NFATC1, NFKBIA GSK3B 1989/4885ALDH1A1 3037/4885MEN1 4619/4885

“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.