SCHEMBL19355306

SCHEMBL19355306

CNC(=O)c1c(F)cnc2c(C(C)CCNc3cc(-c4ccc(NC5CC5)nc4)ncn3)cccc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 2/20 0.38
PIK3CA P42336 2/20 0.34
FAAH O00519 2/20 0.33
MAPK1 P28482 3/20 0.33
CCNT1 O60563 1/20 0.33
CCNA2 P20248 1/20 0.33
CDK2 P24941 1/20 0.33
MAPK3 P27361 1/20 0.33
NR3C1 P04150 1/20 0.33
KDM4E B2RXH2 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
FEN1 P39748 1/20 0.32
HRH4 Q9H3N8 1/20 0.32
PDE10A Q9Y233 1/20 0.32
KCNQ3 O43525 1/20 0.32
KCNQ2 O43526 1/20 0.32
FLT3 P36888 1/20 0.32
TYRO3 Q06418 1/20 0.32
MERTK Q12866 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
SCHEMBL17634873 0.93 PRKDC (0.44) PRKDCPIK3CAFAAHMAPK1CCNT1
SCHEMBL19355624 0.88 GCK (0.39) PRKDCPIK3CAFAAHFEN1
SCHEMBL17874727 0.88 PRKDC (0.41) PRKDCFAAHCCNT1SYK
SCHEMBL19355149 0.87 PRKDC (0.39) PRKDCFAAHKDM4EFEN1
SCHEMBL19905429 0.87 CYP1A2 (0.35) PIK3CAFAAHMAPK1CCNT1NR3C1
SCHEMBL17874795 0.87 TDO2 (0.42) PRKDCPIK3CAFAAHKDM4ESYK
SCHEMBL17874728 0.87 PRKDC (0.41) PRKDCFAAHSYK
SCHEMBL17874692 0.87 PRKDC (0.46) PRKDCPIK3CAFAAHMAPK1CCNA2
SCHEMBL19355141 0.87 PRKDC (0.36) PRKDCPIK3CAFAAHMAPK1
SCHEMBL19355648 0.87 PRKDC (0.38) PRKDCFAAHMAPTFEN1

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 33/4885PIK3CA 226/4885FAAH 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.