SCHEMBL3542914

SCHEMBL3542914

O=c1cc(N2C=C(O)CC2)nc2c3ccccc3ccn12

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 11/20 0.62
MTOR P42345 1/20 0.59
PARP1 P09874 1/20 0.38
MAPT P10636 2/20 0.36
HCRTR1 O43613 1/20 0.36
TP53 P04637 1/20 0.36
ALOX15 P16050 1/20 0.36
MAPK1 P28482 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ALDH1A1 P00352 1/20 0.35
PIK3CD O00329 5/20 0.35
PIK3CA P42336 5/20 0.35
PIK3CB P42338 5/20 0.35
PIK3CG P48736 1/20 0.35
KDM4E B2RXH2 1/20 0.34
NPC1 O15118 1/20 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
SCHEMBL13435576 0.77 PRKDC (1.00) PRKDCMTORPIK3CDPIK3CAPIK3CB
SCHEMBL13435575 0.76 PRKDC (1.00) PRKDCMTORPARP1PIK3CDPIK3CA
SCHEMBL5661282 0.74 PRKDC (0.79) PRKDCMTOR
SCHEMBL10092321 0.74 PRKDC (1.00) PRKDCMTORPIK3CDPIK3CAPIK3CB
SCHEMBL3540143 0.74 PRKDC (1.00) PRKDCMTORPIK3CDPIK3CAPIK3CB
SCHEMBL3537867 0.73 PRKDC (1.00) PRKDCMTORPARP1HCRTR1ALDH1A1
SCHEMBL3539237 0.70 PRKDC (0.62) PRKDCMTORPARP1MAPTHCRTR1
SCHEMBL11924607 0.69 PRKDC (0.61) PRKDCMTORPARP1MAPTHCRTR1
SCHEMBL8167826 0.69 PRKDC (0.61) PRKDCMTORPARP1MAPTHCRTR1
SCHEMBL3539918 0.69 PRKDC (0.61) PRKDCMTORPARP1MAPTHCRTR1

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 4 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

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 PRKDC 92/4885MTOR 803/4885PARP1 41/4885
US-20070238729-A1 DNA-PK INHIBITORS ATM, CHEK2, CHEK1 PRKDC 212/4885MTOR 620/4885PARP1 49/4885

“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.