SCHEMBL3540143

SCHEMBL3540143

O=c1cc(N2CCSCC2)nc2c3ccccc3ccn12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 13/20 1.00
MTOR P42345 1/20 0.73
PIK3CB P42338 6/20 0.45
PIK3CD O00329 6/20 0.45
PIK3CG P48736 2/20 0.45
PIK3CA P42336 4/20 0.43

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 0.88 PRKDC (1.00) PRKDCMTORPIK3CBPIK3CDPIK3CG
SCHEMBL5661282 0.85 PRKDC (0.79) PRKDCMTOR
SCHEMBL10092321 0.85 PRKDC (1.00) PRKDCMTORPIK3CBPIK3CDPIK3CG
SCHEMBL13435575 0.84 PRKDC (1.00) PRKDCMTORPIK3CBPIK3CDPIK3CG
SCHEMBL3537867 0.78 PRKDC (1.00) PRKDCMTORPIK3CBPIK3CDPIK3CG
SCHEMBL13346529 0.77 PRKDC (1.00) PRKDCMTORPIK3CBPIK3CDPIK3CG
SCHEMBL3536365 0.77 PRKDC (1.00) PRKDCMTORPIK3CBPIK3CDPIK3CG
SCHEMBL31060462 0.76 PRKDC (0.71) PRKDCMTORPIK3CBPIK3CDPIK3CG
SCHEMBL3542914 0.74 PRKDC (0.62) PRKDCMTORPIK3CBPIK3CDPIK3CG
SCHEMBL3535168 0.74 PRKDC (0.69) PRKDCMTORPIK3CBPIK3CDPIK3CG

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 803/4885PIK3CB 575/4885
US-20070238729-A1 DNA-PK INHIBITORS ATM, CHEK2, CHEK1 PRKDC 212/4885MTOR 620/4885PIK3CB 499/4885

“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.