SCHEMBL17634569

SCHEMBL17634569

Cc1ccc(-c2cc(NC[C@@H](C)c3ccnc4cccnc34)ncn2)cn1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PRKDC P78527 2/20 0.50
▸ CYP1A2 P05177 3/20 0.44
▸ CYP3A4 P08684 3/20 0.44
▸ CLK4 Q9HAZ1 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ FAAH O00519 15/20 0.43
▸ ALDH1A1 P00352 2/20 0.40
▸ CYP2D6 P10635 2/20 0.40
▸ HSD17B10 Q99714 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39

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
SCHEMBL15343384 1.00 PRKDC (0.50) PRKDCCYP1A2CYP3A4CLK4MEN1
SCHEMBL15343226 0.94 PRKDC (0.52) PRKDCCYP1A2CYP3A4CLK4MEN1
SCHEMBL15343406 0.94 PRKDC (0.52) PRKDCCYP1A2CYP3A4CLK4MEN1
SCHEMBL17634567 0.91 PRKDC (0.59) PRKDCCYP1A2CYP3A4CLK4MEN1
SCHEMBL15343289 0.89 PRKDC (0.46) PRKDCCYP1A2CYP3A4CLK4FAAH
SCHEMBL15343285 0.88 PRKDC (0.49) PRKDCCYP1A2CYP3A4CLK4MEN1
SCHEMBL17634570 0.87 PRKDC (0.49) PRKDCCYP1A2CYP3A4CLK4FAAH
SCHEMBL17634573 0.87 PRKDC (0.45) PRKDCCYP1A2CYP3A4CLK4FAAH
SCHEMBL15343212 0.87 PRKDC (0.53) PRKDCCYP1A2CYP3A4CLK4MEN1
SCHEMBL15343177 0.86 PRKDC (0.44) PRKDCCYP1A2CYP3A4CLK4MEN1

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 33/4885CYP1A2 2215/4885CYP3A4 1759/4885
US-10442791-B2 DNA-PK inhibitors POLK, DTYMK, DCK PRKDC 33/4885CYP1A2 2215/4885CYP3A4 1759/4885
US-10391095-B2 DNA-PK inhibitors POLK, DTYMK, DCK PRKDC 33/4885CYP1A2 2215/4885CYP3A4 1759/4885
US-11021465-B2 DNA-PK inhibitors POLK, DTYMK, DCK PRKDC 33/4885CYP1A2 2215/4885CYP3A4 1759/4885

“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.

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