SCHEMBL19355282

SCHEMBL19355282

CNC(=O)c1ccnc2c([C@H](C)CNc3cc(-c4ccc(NC)nc4)ncn3)cccc12

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 2/20 0.53
SLC40A1 Q9NP59 1/20 0.39
FAAH O00519 15/20 0.38
PSEN1 P49768 1/20 0.35
PSEN2 P49810 1/20 0.35
APH1B Q8WW43 1/20 0.35
NCSTN Q92542 1/20 0.35
APH1A Q96BI3 1/20 0.35
PSENEN Q9NZ42 1/20 0.35
ALDH1A1 P00352 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
ALOX15 P16050 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CLK4 Q9HAZ1 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
SCHEMBL17634621 0.94 PRKDC (0.51) PRKDCSLC40A1FAAH
SCHEMBL17634920 0.93 PRKDC (0.50) PRKDCSLC40A1FAAH
SCHEMBL17634659 0.93 PRKDC (0.49) PRKDCSLC40A1FAAHALDH1A1CYP1A2
SCHEMBL17634630 0.93 PRKDC (0.49) PRKDCSLC40A1FAAHALDH1A1CYP1A2
SCHEMBL19355548 0.93 PRKDC (0.49) PRKDCSLC40A1FAAHALDH1A1CYP1A2
SCHEMBL17634795 0.92 PRKDC (0.54) PRKDCSLC40A1FAAHALDH1A1CYP1A2
SCHEMBL15339608 0.92 PRKDC (0.54) PRKDCSLC40A1FAAHALDH1A1CYP1A2
SCHEMBL15339618 0.92 PRKDC (0.54) PRKDCSLC40A1FAAHALDH1A1CYP1A2
SCHEMBL15339643 0.92 PRKDC (0.49) PRKDCSLC40A1FAAH
SCHEMBL17634654 0.92 PRKDC (0.51) PRKDCSLC40A1FAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170258789-A1 DNA-PK INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-09-14 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-20170258789-A1 DNA-PK INHIBITORS POLK, DTYMK, DCK PRKDC 33/4885SLC40A1 4477/4885FAAH 3955/4885

“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.