SCHEMBL17874683

SCHEMBL17874683

CCOc1ncc(-c2cc(NC[C@@H](C)c3cccc4c(C(=O)NC)ncnc34)ncn2)cn1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 2/20 0.51
FAAH O00519 16/20 0.40
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34
THRB P10828 1/20 0.34
ABL1 P00519 1/20 0.34
BCR P11274 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
SCHEMBL17874675 0.94 PRKDC (0.50) PRKDCFAAHTP53ABL1BCR
SCHEMBL15473153 0.94 PRKDC (0.50) PRKDCFAAHTP53ABL1BCR
SCHEMBL19905491 0.92 PRKDC (0.44) PRKDCFAAHLMNATP53MAPT
SCHEMBL17634923 0.91 PRKDC (0.58) PRKDCFAAHABL1BCR
SCHEMBL15328493 0.89 PRKDC (0.49) PRKDCFAAH
SCHEMBL15328500 0.89 PRKDC (0.49) PRKDCFAAH
SCHEMBL15339623 0.88 PRKDC (0.55) PRKDCFAAHLMNATP53MAPT
SCHEMBL17874673 0.88 PRKDC (0.46) PRKDCFAAH
SCHEMBL15473073 0.88 PRKDC (0.47) PRKDCFAAH
SCHEMBL17874671 0.88 PRKDC (0.47) PRKDCFAAH

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11008305-B2 DNA-PK inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2021-05-18 US disclosed
US-20200062732-A1 DNA-PK INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2020-02-27 US disclosed
US-10442791-B2 DNA-PK inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2019-10-15 US disclosed
US-20180208579-A1 DNA-PK INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2018-07-26 US disclosed
US-20180208579-A1 DNA-PK INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2018-07-26 US disclosed
EP-3057959-B1 DNA-PK INHIBITORS VERTEX PHARMA (US) 2018-02-28 EP disclosed
US-9878993-B2 DNA-PK inhibitors for treatment of cancer VERTEX PHARMACEUTICALS INCORPORATED (US) 2018-01-30 US disclosed
US-9878993-B2 DNA-PK inhibitors for treatment of cancer VERTEX PHARMACEUTICALS INCORPORATED (US) 2018-01-30 US disclosed
US-9376448-B2 DNA-PK inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-06-28 US disclosed
US-9376448-B2 DNA-PK inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-06-28 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 (4 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-11008305-B2 DNA-PK inhibitors POLK, DTYMK, DCK PRKDC 33/4885FAAH 3955/4885LMNA 484/4885
US-10442791-B2 DNA-PK inhibitors POLK, DTYMK, DCK PRKDC 33/4885FAAH 3955/4885LMNA 484/4885
US-20200062732-A1 DNA-PK INHIBITORS POLK, DTYMK, DCK PRKDC 33/4885FAAH 3955/4885LMNA 484/4885
US-20180208579-A1 DNA-PK INHIBITORS POLK, DTYMK, DCK PRKDC 33/4885FAAH 3955/4885LMNA 484/4885

“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.