SCHEMBL17634838

SCHEMBL17634838

CNC(=O)c1ccnc2c([C@H](C)CNc3cc(-c4cncc(OC)c4)ncn3)cccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 2/20 0.47
FAAH O00519 4/20 0.42
CYP1A2 P05177 11/20 0.40
CYP3A4 P08684 11/20 0.40
CYP2D6 P10635 11/20 0.40
CLK4 Q9HAZ1 10/20 0.40
CYP2C19 P33261 10/20 0.40
TSHR P16473 7/20 0.40
HSD17B10 Q99714 4/20 0.40
ALOX15 P16050 4/20 0.40
MAPK1 P28482 4/20 0.40
TP53 P04637 3/20 0.40
ALDH1A1 P00352 5/20 0.38
USP2 O75604 2/20 0.38
HIF1A Q16665 2/20 0.37
LMNA P02545 2/20 0.36
SLC40A1 Q9NP59 1/20 0.36
MEN1 O00255 1/20 0.36
CYP2C9 P11712 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL17634699 0.90 FAAH (0.49) PRKDCFAAHCYP1A2CYP3A4CLK4
SCHEMBL17634789 0.90 PRKDC (0.51) PRKDCFAAHCYP1A2CYP3A4CYP2D6
SCHEMBL17634641 0.89 PRKDC (0.53) PRKDCFAAHCYP1A2CYP3A4CYP2D6
SCHEMBL17634823 0.89 PRKDC (0.46) PRKDCFAAHCYP1A2CYP3A4CYP2D6
SCHEMBL17634834 0.89 PRKDC (0.48) PRKDCFAAHCYP1A2CYP3A4CYP2D6
SCHEMBL17634645 0.89 PRKDC (0.51) PRKDCFAAHCYP1A2CYP3A4CYP2D6
SCHEMBL17634908 0.88 PRKDC (0.48) PRKDCFAAHCYP1A2CYP3A4CYP2D6
SCHEMBL15339615 0.88 PRKDC (0.54) PRKDCFAAHCYP1A2CYP3A4CYP2D6
SCHEMBL15339620 0.87 PRKDC (0.50) PRKDCFAAHCYP1A2CYP3A4CYP2D6
SCHEMBL18053454 0.87 PRKDC (0.48) 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 16 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
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 (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.