SCHEMBL17634671

SCHEMBL17634671

[2H]C([2H])([2H])NC(=O)c1ccnc2c([C@H](C)CNc3cc(-c4cnc(C)nc4)ncn3)cccc12

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 2/20 0.60
FAAH O00519 13/20 0.35
CYP1A2 P05177 3/20 0.34
CYP3A4 P08684 3/20 0.34
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
HPGD P15428 2/20 0.34
CYP2C19 P33261 2/20 0.34
HSD17B10 Q99714 2/20 0.34
SLC40A1 Q9NP59 1/20 0.34
CYP2D6 P10635 1/20 0.34
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
CLK4 Q9HAZ1 1/20 0.32
AURKA O14965 1/20 0.32
RPS6KB1 P23443 1/20 0.32
TSHR P16473 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL29623963 0.94 PRKDC (0.63) PRKDCFAAHCYP1A2CYP3A4KDM4E
SCHEMBL16654055 0.94 PRKDC (0.63) PRKDCFAAHCYP1A2CYP3A4KDM4E
SCHEMBL28551259 0.94 PRKDC (0.63) PRKDCFAAHCYP1A2CYP3A4KDM4E
SCHEMBL15328700 0.94 PRKDC (0.63) PRKDCFAAHCYP1A2CYP3A4KDM4E
SCHEMBL17874684 0.93 PRKDC (0.52) PRKDCFAAHCYP1A2CYP3A4KDM4E
SCHEMBL17634601 0.93 PRKDC (0.52) PRKDCFAAHCYP1A2CYP3A4KDM4E
SCHEMBL17874734 0.90 PRKDC (0.57) PRKDCFAAHCYP1A2CYP3A4KDM4E
SCHEMBL19818181 0.89 PRKDC (0.61) PRKDCFAAHCYP1A2CYP3A4KDM4E
SCHEMBL17634655 0.89 PRKDC (0.65) PRKDCFAAHCYP1A2CYP3A4KDM4E
SCHEMBL17634702 0.89 PRKDC (0.65) PRKDCFAAHCYP1A2CYP3A4KDM4E

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-9592232-B2 DNA-PK inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-03-14 US disclosed
US-20160250212-A1 DNA-PK INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-09-01 US disclosed
US-9376448-B2 DNA-PK inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-06-28 US disclosed
US-9296701-B2 DNA-PK inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-03-29 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 (1 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-20160250212-A1 DNA-PK INHIBITORS POLK, DTYMK, DCK PRKDC 33/4885FAAH 3955/4885CYP1A2 2215/4885

“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.