SCHEMBL17634873

SCHEMBL17634873

CNC(=O)c1c(F)cnc2c([C@H](C)CNc3cc(-c4ccc(NC5CC5)nc4)ncn3)cccc12

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 2/20 0.44
FAAH O00519 11/20 0.37
PIK3CA P42336 1/20 0.34
MAPK1 P28482 2/20 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
PDE10A Q9Y233 1/20 0.33
KCNQ3 O43525 1/20 0.33
KCNQ2 O43526 1/20 0.33

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
SCHEMBL17874727 0.94 PRKDC (0.41) PRKDCFAAHCCNT1
SCHEMBL19355306 0.93 PRKDC (0.38) PRKDCFAAHPIK3CAMAPK1CCNT1
SCHEMBL17874692 0.93 PRKDC (0.46) PRKDCFAAHPIK3CAMAPK1CCNA2
SCHEMBL17874795 0.93 TDO2 (0.42) PRKDCFAAHPIK3CA
SCHEMBL17874728 0.93 PRKDC (0.41) PRKDCFAAH
SCHEMBL17874745 0.92 PRKDC (0.40) PRKDCFAAHPIK3CACCNT1
SCHEMBL19905439 0.92 PRKDC (0.40) PRKDCFAAHPIK3CACCNT1
SCHEMBL17874788 0.92 PRKDC (0.40) PRKDCFAAH
SCHEMBL17874790 0.92 PRKDC (0.40) PRKDCFAAHPIK3CACCNT1
SCHEMBL17874747 0.91 PRKDC (0.39) PRKDCFAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11021465-B2 DNA-PK inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2021-06-01 US disclosed
US-11008305-B2 DNA-PK inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2021-05-18 US disclosed
EP-3459942-B1 DNA-PK INHIBITORS VERTEX PHARMA (US) 2020-12-30 EP disclosed
US-10442791-B2 DNA-PK inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2019-10-15 US disclosed
US-10391095-B2 DNA-PK inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2019-08-27 US disclosed
US-20180193341-A1 DNA-PK INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2018-07-12 US disclosed
US-9925188-B2 DNA-PK inhibitors and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2018-03-27 US disclosed
US-9925188-B2 DNA-PK inhibitors and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2018-03-27 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-9592232-B2 DNA-PK inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-03-14 US disclosed
US-9592232-B2 DNA-PK inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-03-14 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
US-9296701-B2 DNA-PK inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-03-29 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 (5 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 33/4885FAAH 3955/4885PIK3CA 226/4885
US-10442791-B2 DNA-PK inhibitors POLK, DTYMK, DCK PRKDC 33/4885FAAH 3955/4885PIK3CA 226/4885
US-20180193341-A1 DNA-PK INHIBITORS POLK, DTYMK, DCK PRKDC 33/4885FAAH 3955/4885PIK3CA 226/4885
US-10391095-B2 DNA-PK inhibitors POLK, DTYMK, DCK PRKDC 33/4885FAAH 3955/4885PIK3CA 226/4885
US-11021465-B2 DNA-PK inhibitors POLK, DTYMK, DCK PRKDC 33/4885FAAH 3955/4885PIK3CA 226/4885

“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.