SCHEMBL17634828

SCHEMBL17634828

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 2/20 0.48
CYP1A2 P05177 9/20 0.39
ALDH1A1 P00352 8/20 0.39
CYP3A4 P08684 8/20 0.39
CYP2C19 P33261 8/20 0.39
HSD17B10 Q99714 6/20 0.39
CLK4 Q9HAZ1 6/20 0.39
FAAH O00519 6/20 0.39
MAPK1 P28482 4/20 0.36
USP2 O75604 3/20 0.36
CYP2D6 P10635 5/20 0.36
TSHR P16473 3/20 0.36
HPGD P15428 3/20 0.36
KDM4E B2RXH2 2/20 0.36
MAPT P10636 1/20 0.36
LRRK2 Q5S007 2/20 0.36
SLC40A1 Q9NP59 1/20 0.35
LMNA P02545 1/20 0.35
GLA P06280 1/20 0.35
ALOX15 P16050 1/20 0.35

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
SCHEMBL20373224 0.92 PRKDC (0.41) PRKDCCYP1A2ALDH1A1CYP3A4CYP2C19
SCHEMBL17634698 0.91 PRKDC (0.49) PRKDCCYP1A2ALDH1A1CYP3A4CYP2C19
SCHEMBL17634789 0.89 PRKDC (0.51) PRKDCCYP1A2ALDH1A1CYP3A4CYP2C19
SCHEMBL17634641 0.89 PRKDC (0.53) PRKDCCYP1A2ALDH1A1CYP3A4CYP2C19
SCHEMBL17634834 0.88 PRKDC (0.48) PRKDCCYP1A2ALDH1A1CYP3A4CYP2C19
SCHEMBL17634645 0.88 PRKDC (0.51) PRKDCCYP1A2ALDH1A1CYP3A4CYP2C19
SCHEMBL17634908 0.88 PRKDC (0.48) PRKDCCYP1A2ALDH1A1CYP3A4CYP2C19
SCHEMBL17634647 0.88 PRKDC (0.49) PRKDCCYP1A2ALDH1A1CYP3A4CYP2C19
SCHEMBL17634838 0.87 PRKDC (0.47) PRKDCCYP1A2ALDH1A1CYP3A4CYP2C19
SCHEMBL17634910 0.86 PRKDC (0.42) PRKDCCYP1A2ALDH1A1CYP3A4CYP2C19

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-20170258789-A1 DNA-PK INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-09-14 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 33/4885CYP1A2 2215/4885ALDH1A1 2935/4885
US-10442791-B2 DNA-PK inhibitors POLK, DTYMK, DCK PRKDC 33/4885CYP1A2 2215/4885ALDH1A1 2935/4885
US-20170258789-A1 DNA-PK INHIBITORS POLK, DTYMK, DCK PRKDC 33/4885CYP1A2 2215/4885ALDH1A1 2935/4885
US-10391095-B2 DNA-PK inhibitors POLK, DTYMK, DCK PRKDC 33/4885CYP1A2 2215/4885ALDH1A1 2935/4885
US-11021465-B2 DNA-PK inhibitors POLK, DTYMK, DCK PRKDC 33/4885CYP1A2 2215/4885ALDH1A1 2935/4885

“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.