SCHEMBL17874705

SCHEMBL17874705

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

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 2/20 0.41
HPGDS O60760 7/20 0.39
SOS1 Q07889 2/20 0.34
CDK1 P06493 1/20 0.33
CDK4 P11802 1/20 0.33
CDK6 Q00534 1/20 0.33
BDKRB1 P46663 1/20 0.32
FAAH O00519 2/20 0.32
KDM1A O60341 2/20 0.32
HRH4 Q9H3N8 1/20 0.32
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
TNF P01375 1/20 0.31
IRAK4 Q9NWZ3 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
SCHEMBL17874747 0.95 PRKDC (0.39) PRKDCHPGDSSOS1CDK1CDK4
SCHEMBL17874769 0.93 PRKDC (0.42) PRKDCCDK1CDK4CDK6FAAH
SCHEMBL19905458 0.93 PRKDC (0.41) PRKDCHPGDSSOS1BDKRB1FAAH
SCHEMBL17874698 0.93 PRKDC (0.41) PRKDCHPGDSSOS1BDKRB1FAAH
SCHEMBL17874772 0.92 PRKDC (0.41) PRKDCHPGDSSOS1FAAHHRH4
SCHEMBL19905499 0.92 PRKDC (0.43) PRKDCCDK1FAAH
SCHEMBL17874740 0.92 PRKDC (0.43) PRKDCCDK1FAAH
SCHEMBL17874692 0.92 PRKDC (0.46) PRKDCFAAH
SCHEMBL19905490 0.91 PRKDC (0.41) PRKDCHPGDSSOS1CDK1CDK4
SCHEMBL17874743 0.91 PRKDC (0.41) PRKDCHPGDSSOS1CDK1CDK4

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 7 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-10442791-B2 DNA-PK inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2019-10-15 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 (2 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 33/4885HPGDS 918/4885SOS1 3846/4885
US-10442791-B2 DNA-PK inhibitors POLK, DTYMK, DCK PRKDC 33/4885HPGDS 918/4885SOS1 3846/4885

“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.