SCHEMBL17874692

SCHEMBL17874692

CNC(=O)c1c(F)cnc2c([C@H](C)CNc3cc(-c4cnc(NC5CC5)nc4)ncn3)cccc12

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 2/20 0.46
FAAH O00519 10/20 0.35
FLT3 P36888 3/20 0.33
TYRO3 Q06418 3/20 0.33
MERTK Q12866 3/20 0.33
GAS6 Q14393 3/20 0.33
PIP5K1C O60331 1/20 0.32
MAPK1 P28482 2/20 0.32
CCNA2 P20248 1/20 0.32
CDK2 P24941 1/20 0.32
MAPK3 P27361 1/20 0.32
PIK3CA P42336 1/20 0.31
NPR1 P16066 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
SCHEMBL17874740 0.94 PRKDC (0.43) PRKDCFAAHTYRO3MAPK1CCNA2
SCHEMBL19905499 0.94 PRKDC (0.43) PRKDCFAAHTYRO3MAPK1CCNA2
SCHEMBL17634873 0.93 PRKDC (0.44) PRKDCFAAHMAPK1CCNA2CDK2
SCHEMBL17874769 0.93 PRKDC (0.42) PRKDCFAAHPIK3CA
SCHEMBL17874698 0.93 PRKDC (0.41) PRKDCFAAHPIK3CA
SCHEMBL19905458 0.93 PRKDC (0.41) PRKDCFAAHPIK3CA
SCHEMBL17874705 0.92 PRKDC (0.41) PRKDCFAAH
SCHEMBL17874772 0.92 PRKDC (0.41) PRKDCFAAHPIK3CA
SCHEMBL17634922 0.89 PRKDC (0.46) PRKDCFAAH
SCHEMBL19905253 0.89 PRKDC (0.44) 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 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 33/4885FAAH 3955/4885FLT3 1312/4885
US-10442791-B2 DNA-PK inhibitors POLK, DTYMK, DCK PRKDC 33/4885FAAH 3955/4885FLT3 1312/4885
US-20200062732-A1 DNA-PK INHIBITORS POLK, DTYMK, DCK PRKDC 33/4885FAAH 3955/4885FLT3 1312/4885
US-20180208579-A1 DNA-PK INHIBITORS POLK, DTYMK, DCK PRKDC 33/4885FAAH 3955/4885FLT3 1312/4885

“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.