SCHEMBL17634575

SCHEMBL17634575

C[C@H](CNc1cc(-c2ccc3ncccc3c2)ncn1)c1ccnc2cccnc12

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PRKDC P78527 2/20 0.44
▸ FAAH O00519 16/20 0.42
▸ NPC1 O15118 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ TRPV1 Q8NER1 1/20 0.38

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
SCHEMBL20415099 0.90 NPC1 (0.38) PRKDCFAAHNPC1POLBRAB9A
SCHEMBL15343384 0.86 PRKDC (0.50) PRKDCFAAH
SCHEMBL17634569 0.86 PRKDC (0.50) PRKDCFAAH
SCHEMBL17634567 0.85 PRKDC (0.59) PRKDCFAAH
SCHEMBL15343263 0.84 NPC1 (0.48) FAAHNPC1POLBRAB9ATRPV1
SCHEMBL15343289 0.83 PRKDC (0.46) PRKDCFAAH
SCHEMBL17634570 0.83 PRKDC (0.49) PRKDCFAAH
SCHEMBL15342935 0.83 FAAH (0.48) FAAH
SCHEMBL15343017 0.82 PRKDC (0.37) PRKDCFAAHNPC1POLBRAB9A
SCHEMBL15343256 0.82 PRKDC (0.39) PRKDCFAAHNPC1POLBRAB9A

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 3955/4885NPC1 627/4885
US-10442791-B2 DNA-PK inhibitors POLK, DTYMK, DCK PRKDC 33/4885FAAH 3955/4885NPC1 627/4885
US-10391095-B2 DNA-PK inhibitors POLK, DTYMK, DCK PRKDC 33/4885FAAH 3955/4885NPC1 627/4885
US-11021465-B2 DNA-PK inhibitors POLK, DTYMK, DCK PRKDC 33/4885FAAH 3955/4885NPC1 627/4885

“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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