SCHEMBL3538463

SCHEMBL3538463

CN1CCN(c2cc(=O)c3ccc4ccccc4c3o2)CC1

nearest known ligand 0.78

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 14/20 0.78
PIK3CA P42336 2/20 0.74
MTOR P42345 2/20 0.74
PIK3R1 P27986 1/20 0.74
TDP1 Q9NUW8 1/20 0.74
CYP1A1 P04798 3/20 0.67
CYP1B1 Q16678 3/20 0.67
CYP1A2 P05177 2/20 0.65

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
SCHEMBL3535232 0.88 PRKDC (1.00) PRKDCPIK3CAMTORPIK3R1TDP1
SCHEMBL3538224 0.86 PRKDC (1.00) PRKDCPIK3CAMTORPIK3R1TDP1
SCHEMBL29374897 0.85 PRKDC (1.00) PRKDCPIK3CAMTORPIK3R1TDP1
SCHEMBL610237 0.85 PRKDC (1.00) PRKDCPIK3CAMTORPIK3R1TDP1
SCHEMBL30943705 0.85 PRKDC (1.00) PRKDCPIK3CAMTORPIK3R1TDP1
SCHEMBL30943704 0.85 PRKDC (1.00) PRKDCPIK3CAMTORPIK3R1TDP1
SCHEMBL3537126 0.84 PRKDC (0.78) PRKDCPIK3CAMTORPIK3R1TDP1
SCHEMBL31060675 0.84 PRKDC (1.00) PRKDCPIK3CAMTORPIK3R1TDP1
SCHEMBL3537842 0.84 PRKDC (1.00) PRKDCPIK3CAMTORPIK3R1TDP1
SCHEMBL31061492 0.82 PRKDC (1.00) PRKDCPIK3CAMTORPIK3R1TDP1

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 92/4885PIK3CA 250/4885MTOR 803/4885
US-20070238729-A1 DNA-PK INHIBITORS ATM, CHEK2, CHEK1 PRKDC 212/4885PIK3CA 219/4885MTOR 620/4885

“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.