SCHEMBL17874672

SCHEMBL17874672

CNC(=O)c1ncnc2c([C@H](C)CNc3cc(-c4ccc(C#N)cc4)ncn3)cccc12

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FAAH O00519 12/20 0.50
PRKDC P78527 2/20 0.45
CYP1A2 P05177 4/20 0.38
MAPK1 P28482 3/20 0.38
CYP2C19 P33261 3/20 0.38
HSD17B10 Q99714 3/20 0.38
ALDH1A1 P00352 3/20 0.38
CLK4 Q9HAZ1 3/20 0.38
CTSA P10619 1/20 0.38
USP2 O75604 1/20 0.38
CYP3A4 P08684 3/20 0.37
TSHR P16473 2/20 0.37
KDM4E B2RXH2 1/20 0.37
CYP2D6 P10635 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
USP30 Q70CQ3 1/20 0.37

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
SCHEMBL16664985 1.00 FAAH (0.50) FAAHPRKDCCYP1A2MAPK1CYP2C19
SCHEMBL19905489 0.90 FAAH (0.48) FAAHPRKDCCYP1A2CYP2C19HSD17B10
SCHEMBL17634698 0.88 PRKDC (0.49) FAAHPRKDCCYP1A2MAPK1CYP2C19
SCHEMBL17874676 0.86 ABL1 (0.41) FAAHPRKDCCYP1A2CYP2C19HSD17B10
SCHEMBL15328500 0.86 PRKDC (0.49) FAAHPRKDCCYP1A2CYP2C19HSD17B10
SCHEMBL15328493 0.86 PRKDC (0.49) FAAHPRKDCCYP1A2CYP2C19HSD17B10
SCHEMBL15473073 0.85 PRKDC (0.47) FAAHPRKDC
SCHEMBL17874671 0.85 PRKDC (0.47) FAAHPRKDC
SCHEMBL17634923 0.85 PRKDC (0.58) FAAHPRKDCCYP1A2CYP2C19HSD17B10
SCHEMBL17874673 0.84 PRKDC (0.46) FAAHPRKDCCYP1A2CLK4USP2

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-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
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 FAAH 3955/4885PRKDC 33/4885CYP1A2 2215/4885
US-10442791-B2 DNA-PK inhibitors POLK, DTYMK, DCK FAAH 3955/4885PRKDC 33/4885CYP1A2 2215/4885
US-20200062732-A1 DNA-PK INHIBITORS POLK, DTYMK, DCK FAAH 3955/4885PRKDC 33/4885CYP1A2 2215/4885
US-20180208579-A1 DNA-PK INHIBITORS POLK, DTYMK, DCK FAAH 3955/4885PRKDC 33/4885CYP1A2 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.