SCHEMBL3590143

SCHEMBL3590143

Nc1ncccn1.O=C1C=NCc2ccccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.40
HSP90AA1 P07900 1/20 0.39
POLB P06746 2/20 0.37
LMNA P02545 1/20 0.37
S100A4 P26447 2/20 0.35
TDP2 O95551 1/20 0.35
NSD2 O96028 1/20 0.35
PAX8 Q06710 1/20 0.35
TGM2 P21980 1/20 0.35
PADI1 Q9ULC6 1/20 0.35
PADI3 Q9ULW8 1/20 0.35
PADI4 Q9UM07 1/20 0.35
PADI2 Q9Y2J8 1/20 0.35
ALDH1A1 P00352 2/20 0.34
NPC1 O15118 1/20 0.34
MAPT P10636 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ROCK1 Q13464 2/20 0.34

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
SCHEMBL691140 0.86 MAOA (0.41) TSHRPOLBTDP2ALDH1A1KMT2A
SCHEMBL3590145 0.74 HSP90AA1 (0.39) HSP90AA1S100A4TDP2NSD2PAX8
SCHEMBL6508302 0.64 PLAU (0.41) TSHRPOLBLMNAALDH1A1NPC1
SCHEMBL10846631 0.64 PLAU (0.41) TSHRPOLBLMNAALDH1A1NPC1
SCHEMBL14362040 0.63 PLAU (0.37) TSHRKMT2AMAOBCA12CA9
2-Aminopyridine SCHEMBL3603239 0.62 NOS3 (0.48) S100A4TDP2NSD2PAX8TGM2
SCHEMBL25333076 0.62 HSP90AA1 (1.00) TSHRHSP90AA1POLBLMNAALDH1A1
SCHEMBL27136 0.62
SCHEMBL255501 0.61
Formaldehyde SCHEMBL27332779 0.60

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 TSHR 2010/4885HSP90AA1 2829/4885POLB 62/4885
US-20070238729-A1 DNA-PK INHIBITORS ATM, CHEK2, CHEK1 TSHR 1929/4885HSP90AA1 3755/4885POLB 45/4885

“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.