SCHEMBL3537867

SCHEMBL3537867

O=c1cc(N2CCC(O)C2)nc2c3ccccc3ccn12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 13/20 1.00
MTOR P42345 1/20 0.64
PIK3CB P42338 5/20 0.41
KDM4E B2RXH2 1/20 0.39
HCRTR1 O43613 1/20 0.39
ALDH1A1 P00352 1/20 0.39
PIK3CD O00329 4/20 0.39
PIK3CA P42336 4/20 0.39
PIK3CG P48736 1/20 0.39
PARP1 P09874 1/20 0.38

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
SCHEMBL3535168 0.81 PRKDC (0.69) PRKDCMTORPIK3CBPIK3CDPIK3CA
SCHEMBL13435576 0.81 PRKDC (1.00) PRKDCMTORPIK3CBKDM4EPIK3CD
SCHEMBL13435575 0.80 PRKDC (1.00) PRKDCMTORPIK3CBPIK3CDPIK3CA
SCHEMBL10092321 0.78 PRKDC (1.00) PRKDCMTORPIK3CBPIK3CDPIK3CA
SCHEMBL3540143 0.78 PRKDC (1.00) PRKDCMTORPIK3CBPIK3CDPIK3CA
SCHEMBL5661282 0.78 PRKDC (0.79) PRKDCMTOR
SCHEMBL13346529 0.78 PRKDC (1.00) PRKDCMTORPIK3CBKDM4EALDH1A1
SCHEMBL3536365 0.78 PRKDC (1.00) PRKDCMTORPIK3CBKDM4EALDH1A1
SCHEMBL13435574 0.76 PRKDC (0.66) PRKDCMTORPIK3CBPIK3CDPIK3CA
SCHEMBL3539237 0.74 PRKDC (0.62) PRKDCMTORPIK3CBHCRTR1ALDH1A1

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.