SCHEMBL3590145

SCHEMBL3590145

Nc1ncccn1.O=C1CN=Cc2ccccc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.39
KMT2A Q03164 3/20 0.34
ALDH1A1 P00352 2/20 0.34
NPC1 O15118 1/20 0.34
MAPT P10636 1/20 0.34
RAB9A P51151 1/20 0.34
PTPRC P08575 2/20 0.33
CTSL P07711 1/20 0.33
CTSS P25774 1/20 0.33
PTPN13 Q12923 1/20 0.33
TDP2 O95551 3/20 0.32
NSD2 O96028 3/20 0.32
PAX8 Q06710 3/20 0.32
S100A4 P26447 3/20 0.32
MEN1 O00255 2/20 0.32
PADI1 Q9ULC6 2/20 0.32
PADI3 Q9ULW8 2/20 0.32
PADI4 Q9UM07 2/20 0.32
PADI2 Q9Y2J8 2/20 0.32
TGM2 P21980 1/20 0.32

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
2-Aminopyridine SCHEMBL3603239 0.88 NOS3 (0.48) KMT2AALDH1A1NPC1MAPTRAB9A
SCHEMBL691141 0.86 MEN1 (0.35) KMT2AALDH1A1NPC1MAPTRAB9A
Pyrimidine SCHEMBL3604939 0.80 HTT (0.34) NPC1MAPTRAB9AMAOB
SCHEMBL3590143 0.74 TSHR (0.40) HSP90AA1KMT2AALDH1A1NPC1MAPT
SCHEMBL30200273 0.73
SCHEMBL9806078 0.70 TDP2 (0.41) HSP90AA1KMT2AALDH1A1NPC1MAPT
SCHEMBL987746 0.70 TDP2 (0.41) KMT2AALDH1A1PTPRCCTSLCTSS
SCHEMBL30200347 0.68 GSK3B (0.33) KMT2AALDH1A1NPC1MAPTRAB9A
SCHEMBL30839399 0.66 KDM4E (0.56) HSP90AA1KMT2AALDH1A1MAPTMEN1
SCHEMBL2704111 0.66 KDM4E (0.56) HSP90AA1KMT2AALDH1A1MAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7674823-B2 DNA-PK inhibitors CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2010-03-09 US disclosed
US-20070238729-A1 DNA-PK INHIBITORS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2007-10-11 US disclosed
US-7226918-B2 DNA-PK inhibitors CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2007-06-05 US disclosed
US-20040192687-A1 Dna-pk inhibitors CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 2004-09-30 US disclosed
EP-1417196-A1 DNA-PK INHIBITORS Cancer Research Technology Limited (GB) 2004-05-12 EP disclosed
WO-2003024949-A1 DNA-PK INHIBITORS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2003-03-27 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-20040192687-A1 Dna-pk inhibitors ATM, CHEK1, XRCC6 HSP90AA1 2829/4885KMT2A 854/4885ALDH1A1 3564/4885
US-20070238729-A1 DNA-PK INHIBITORS ATM, CHEK2, CHEK1 HSP90AA1 3755/4885KMT2A 1306/4885ALDH1A1 4037/4885

“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.