SCHEMBL16135296

SCHEMBL16135296

CN1CCN(c2nccc(N[C@H]3CC[C@@H](Oc4cc(N5CCOCC5)cc5nccnc45)CC3)n2)CC1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 2/20 0.41
TBK1 Q9UHD2 4/20 0.41
IKBKE Q14164 2/20 0.41
EHMT2 Q96KQ7 5/20 0.39
EHMT1 Q9H9B1 5/20 0.39
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
GPR6 P46095 1/20 0.36
PIK3CA P42336 1/20 0.36
PDE10A Q9Y233 2/20 0.36
SYK P43405 1/20 0.36
EGFR P00533 1/20 0.36
ACHE P22303 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
SCHEMBL20565494 1.00 HRH4 (0.41) HRH4TBK1IKBKEEHMT2EHMT1
SCHEMBL17750626 0.95 ACHE (0.39) TBK1IKBKECYP3A4CYP2D6CYP2C9
SCHEMBL17750240 0.88 TBK1 (0.38) HRH4TBK1IKBKEEHMT2EHMT1
SCHEMBL21279021 0.87 PDE10A (0.38) TBK1IKBKECYP3A4CYP2D6CYP2C9
SCHEMBL16091613 0.87 PDE10A (0.38) TBK1IKBKECYP3A4CYP2D6CYP2C9
SCHEMBL17750293 0.87 TBK1 (0.43) HRH4TBK1IKBKEEHMT2EHMT1
SCHEMBL17750530 0.86 SYK (0.39) TBK1IKBKEGPR6PDE10ASYK
SCHEMBL21179460 0.86 TBK1 (0.39) HRH4TBK1IKBKEEHMT2EHMT1
SCHEMBL21187294 0.86 TBK1 (0.39) HRH4TBK1IKBKEEHMT2EHMT1
SCHEMBL17750362 0.86 TTK (0.38) TBK1IKBKEGPR6PDE10ASYK

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230277547-A1 SUBSTITUTED QUINOXALINE DNA-PK INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-09-07 US disclosed
US-20230277547-A1 SUBSTITUTED QUINOXALINE DNA-PK INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-09-07 US disclosed
US-10973830-B2 Substituted quinoxaline DNA-PK inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2021-04-13 US disclosed
US-20210060028-A1 DNA-PK INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2021-03-04 US disclosed
US-20190290654-A1 DNA-PK INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2019-09-26 US disclosed
WO-2019143675-A1 DNA-PK INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2019-07-25 WO disclosed
EP-2970218-B1 DNA-PK INHIBITORS VERTEX PHARMA (US) 2018-11-28 EP disclosed
US-9987284-B2 Substituted benzooxadiazole DNA-PK inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2018-06-05 US disclosed
US-20160340341-A1 DNA-PK INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-11-24 US disclosed
US-9340557-B2 Substituted quinoxaline DNA-PK inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-05-17 US disclosed
WO-2014159690-A1 DNA-PK INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-10-02 WO 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-10973830-B2 Substituted quinoxaline DNA-PK inhibitors TOP1, TOP2A, TOP2B HRH4 1106/4885TBK1 623/4885IKBKE 697/4885
US-20230277547-A1 SUBSTITUTED QUINOXALINE DNA-PK INHIBITORS DTYMK, POLK, TOP1 HRH4 1646/4885TBK1 426/4885IKBKE 810/4885
US-20190290654-A1 DNA-PK INHIBITORS POLK, DTYMK, DCK HRH4 2433/4885TBK1 506/4885IKBKE 487/4885
US-20160340341-A1 DNA-PK INHIBITORS POLK, DTYMK, DCK HRH4 2433/4885TBK1 506/4885IKBKE 487/4885
US-20210060028-A1 DNA-PK INHIBITORS POLK, DTYMK, DCK HRH4 2613/4885TBK1 475/4885IKBKE 490/4885

“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.