SCHEMBL17874698

SCHEMBL17874698

CNC(=O)c1c(F)cnc2c([C@H](C)CNc3cc(-c4cnc(NC5CCN(CC(F)F)CC5)nc4)ncn3)cccc12

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 2/20 0.41
PIK3CA P42336 1/20 0.33
MTOR P42345 1/20 0.33
DYRK1A Q13627 6/20 0.33
WNT1 P04628 5/20 0.33
SOS1 Q07889 1/20 0.33
GSK3B P49841 1/20 0.33
ACKR3 P25106 1/20 0.33
PRMT5 O14744 2/20 0.32
WDR77 Q9BQA1 2/20 0.32
JAK3 P52333 1/20 0.32
BDKRB1 P46663 1/20 0.32
FAAH O00519 1/20 0.32
CCNT1 O60563 1/20 0.31
CCL5 P13501 1/20 0.31
CCR5 P51681 1/20 0.31
HRH4 Q9H3N8 1/20 0.31
HPGDS O60760 1/20 0.31

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
SCHEMBL19905458 1.00 PRKDC (0.41) PRKDCPIK3CAMTORDYRK1AWNT1
SCHEMBL17874772 0.97 PRKDC (0.41) PRKDCPIK3CAMTORDYRK1AWNT1
SCHEMBL17874745 0.94 PRKDC (0.40) PRKDCPIK3CAMTORDYRK1AWNT1
SCHEMBL19905439 0.94 PRKDC (0.40) PRKDCPIK3CAMTORDYRK1AWNT1
SCHEMBL17874769 0.94 PRKDC (0.42) PRKDCPIK3CAMTORDYRK1AWNT1
SCHEMBL17874705 0.93 PRKDC (0.41) PRKDCSOS1BDKRB1FAAHHRH4
SCHEMBL19905499 0.93 PRKDC (0.43) PRKDCGSK3BPRMT5WDR77JAK3
SCHEMBL17874740 0.93 PRKDC (0.43) PRKDCGSK3BPRMT5WDR77JAK3
SCHEMBL17874692 0.93 PRKDC (0.46) PRKDCPIK3CAFAAH
SCHEMBL17874790 0.91 PRKDC (0.40) PRKDCPIK3CAMTORDYRK1AWNT1

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 33/4885PIK3CA 226/4885MTOR 936/4885
US-10442791-B2 DNA-PK inhibitors POLK, DTYMK, DCK PRKDC 33/4885PIK3CA 226/4885MTOR 936/4885
US-20200062732-A1 DNA-PK INHIBITORS POLK, DTYMK, DCK PRKDC 33/4885PIK3CA 226/4885MTOR 936/4885
US-20180208579-A1 DNA-PK INHIBITORS POLK, DTYMK, DCK PRKDC 33/4885PIK3CA 226/4885MTOR 936/4885

“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.