SCHEMBL17634849

SCHEMBL17634849

CNC(=O)c1c(F)cnc2c([C@H](C)CNc3cc(-c4cnc(OC)c(OC)c4)ncn3)cccc12

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 2/20 0.44
FAAH O00519 7/20 0.39
CYP1A2 P05177 4/20 0.37
CYP3A4 P08684 4/20 0.37
CYP2D6 P10635 4/20 0.37
CLK4 Q9HAZ1 4/20 0.37
TSHR P16473 2/20 0.37
CYP2C19 P33261 2/20 0.37
HSD17B10 Q99714 1/20 0.37
PIK3CA P42336 4/20 0.36
PIK3CG P48736 3/20 0.36
PIK3CD O00329 1/20 0.36
PIK3CB P42338 1/20 0.36
GRM7 Q14831 1/20 0.35
USP2 O75604 1/20 0.35
HDAC1 Q13547 1/20 0.35
CDK9 P50750 1/20 0.34
CTSA P10619 1/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL19355613 0.94 PRKDC (0.42) PRKDCFAAHCYP1A2CYP3A4CYP2D6
SCHEMBL17634853 0.94 PRKDC (0.42) PRKDCFAAHCYP1A2CYP3A4CYP2D6
SCHEMBL17634839 0.94 PRKDC (0.42) PRKDCFAAHCYP1A2CYP3A4CYP2D6
SCHEMBL17634872 0.93 PRKDC (0.42) PRKDCFAAHCYP1A2CYP3A4CYP2D6
SCHEMBL17634850 0.93 PRKDC (0.42) PRKDCFAAHCYP1A2CYP3A4CYP2D6
SCHEMBL23426191 0.93 PRKDC (0.42) PRKDCFAAHCYP1A2CYP3A4CYP2D6
SCHEMBL19905097 0.92 PRKDC (0.38) PRKDCFAAHCYP1A2CYP3A4CYP2D6
SCHEMBL17874696 0.91 PRKDC (0.48) PRKDCFAAHCYP1A2CYP3A4CYP2D6
SCHEMBL17634870 0.91 PRKDC (0.41) PRKDCFAAHCYP1A2CYP3A4CYP2D6
SCHEMBL17634852 0.91 PRKDC (0.44) PRKDCFAAHCYP1A2CYP3A4CYP2D6

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 15 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-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
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 (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 3955/4885CYP1A2 2215/4885
US-10442791-B2 DNA-PK inhibitors POLK, DTYMK, DCK PRKDC 33/4885FAAH 3955/4885CYP1A2 2215/4885
US-10391095-B2 DNA-PK inhibitors POLK, DTYMK, DCK PRKDC 33/4885FAAH 3955/4885CYP1A2 2215/4885
US-11021465-B2 DNA-PK inhibitors POLK, DTYMK, DCK PRKDC 33/4885FAAH 3955/4885CYP1A2 2215/4885

“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.