SCHEMBL17874752

SCHEMBL17874752

CNC(=O)c1c(F)cnc2c([C@H](C)CNc3cc(-c4ccc(N(C)C5CCN(CC(F)(F)F)CC5)nc4)ncn3)cccc12

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 2/20 0.40
HPGDS O60760 4/20 0.36
FAAH O00519 8/20 0.34
CDK1 P06493 1/20 0.33
CDK4 P11802 1/20 0.33
CDK6 Q00534 1/20 0.33
SOS1 Q07889 1/20 0.33
PIK3CA P42336 1/20 0.33
MTOR P42345 1/20 0.33
ITGB2 P05107 2/20 0.32
ICAM1 P05362 2/20 0.32
ITGAL P20701 2/20 0.32
BDKRB1 P46663 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
SCHEMBL17874743 0.94 PRKDC (0.41) PRKDCHPGDSFAAHCDK1CDK4
SCHEMBL19905490 0.94 PRKDC (0.41) PRKDCHPGDSFAAHCDK1CDK4
SCHEMBL17874797 0.93 PRKDC (0.41) PRKDCFAAHCDK1CDK4CDK6
SCHEMBL19905164 0.92 PRKDC (0.40) PRKDCFAAHSOS1PIK3CAMTOR
SCHEMBL17874751 0.92 PRKDC (0.40) PRKDCFAAHSOS1PIK3CAMTOR
SCHEMBL17874798 0.92 PRKDC (0.40) PRKDCFAAH
SCHEMBL17874748 0.92 PRKDC (0.42) PRKDCFAAH
SCHEMBL17874680 0.89 PRKDC (0.39) PRKDCHPGDSFAAHCDK1CDK4
SCHEMBL15473154 0.89 PRKDC (0.39) PRKDCHPGDSFAAHCDK1CDK4
SCHEMBL15473159 0.89 PRKDC (0.44) PRKDCHPGDSFAAHSOS1PIK3CA

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 9 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
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 (3 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 918/4885FAAH 3955/4885
US-10442791-B2 DNA-PK inhibitors POLK, DTYMK, DCK PRKDC 33/4885HPGDS 918/4885FAAH 3955/4885
US-20180208579-A1 DNA-PK INHIBITORS POLK, DTYMK, DCK PRKDC 33/4885HPGDS 918/4885FAAH 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.