SCHEMBL16079599

SCHEMBL16079599

c1cnc(N[C@H]2CC[C@H](Oc3cc(N4CCOCC4)cc4nccnc34)CC2)nc1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.43
DRD2 P14416 7/20 0.42
DRD3 P35462 7/20 0.42
PIK3CA P42336 4/20 0.41
AKT1 P31749 3/20 0.41
MTOR P42345 1/20 0.41
TTK P33981 1/20 0.39
SYK P43405 4/20 0.38
IKBKE Q14164 1/20 0.36
TBK1 Q9UHD2 1/20 0.36
CDK4 P11802 1/20 0.36
GSK3B P49841 1/20 0.36
GPR6 P46095 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
SCHEMBL16040755 1.00 MAPK1 (0.43) MAPK1DRD2DRD3PIK3CAAKT1
SCHEMBL30790689 1.00 MAPK1 (0.43) MAPK1DRD2DRD3PIK3CAAKT1
SCHEMBL16040749 1.00 MAPK1 (0.43) MAPK1DRD2DRD3PIK3CAAKT1
SCHEMBL21279283 0.93 PIK3CA (0.43) MAPK1DRD2DRD3PIK3CAAKT1
SCHEMBL16079675 0.93 PIK3CA (0.43) MAPK1DRD2DRD3PIK3CAAKT1
SCHEMBL17750631 0.91 PDE10A (0.41) MAPK1DRD2DRD3PIK3CAAKT1
SCHEMBL21278971 0.90 PIK3CA (0.41) MAPK1PIK3CAAKT1MTORTTK
SCHEMBL21279196 0.90 PIK3CA (0.41) DRD2DRD3PIK3CAAKT1MTOR
SCHEMBL21278936 0.90 PIK3CA (0.41) MAPK1PIK3CAAKT1MTORTTK
SCHEMBL21278999 0.90 MAPK1 (0.46) MAPK1PIK3CAAKT1MTORTTK

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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11813267-B2 DNA-PK inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-11-14 US disclosed
US-11813267-B2 DNA-PK inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-11-14 US disclosed
US-20230277547-A1 SUBSTITUTED QUINOXALINE DNA-PK INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-09-07 US disclosed
EP-3985003-B1 DNA-PK INHIBITORS VERTEX PHARMA (US) 2023-08-09 EP disclosed
EP-3985003-A1 DNA-PK INHIBITORS Vertex Pharmaceuticals Incorporated (US) 2022-04-20 EP disclosed
US-20210236505-A1 SUBSTITUTED QUINOXALINE DNA-PK INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2021-08-05 US disclosed
US-10973830-B2 Substituted quinoxaline DNA-PK inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2021-04-13 US disclosed
US-20210069203-A1 DNA-PK INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2021-03-11 US disclosed
US-20210060028-A1 DNA-PK INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2021-03-04 US disclosed
US-10786512-B2 DNA-PK inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2020-09-29 US disclosed
US-20160354381-A1 DNA-PK INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-12-08 US disclosed
US-20160340341-A1 DNA-PK INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-11-24 US disclosed
US-20160340341-A1 DNA-PK INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-11-24 US disclosed
US-9359380-B2 DNA-PK inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-06-07 US disclosed
US-9359380-B2 DNA-PK inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-06-07 US disclosed
US-9340557-B2 Substituted quinoxaline DNA-PK inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-05-17 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
US-20140275024-A1 DNA-PK INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-09-18 US disclosed
US-20140275059-A1 DNA-PK INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-09-18 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 (11 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 MAPK1 1222/4885DRD2 4728/4885DRD3 4682/4885
US-20230277547-A1 SUBSTITUTED QUINOXALINE DNA-PK INHIBITORS DTYMK, POLK, TOP1 MAPK1 1967/4885DRD2 4736/4885DRD3 4697/4885
US-11813267-B2 DNA-PK inhibitors POLK, DTYMK, DCK MAPK1 1351/4885DRD2 4882/4885DRD3 4864/4885
US-20140275059-A1 DNA-PK INHIBITORS POLK, DTYMK, DCK MAPK1 1351/4885DRD2 4882/4885DRD3 4864/4885
US-20210069203-A1 DNA-PK INHIBITORS POLK, DTYMK, DCK MAPK1 1351/4885DRD2 4882/4885DRD3 4864/4885
US-10786512-B2 DNA-PK inhibitors POLK, DTYMK, DCK MAPK1 1351/4885DRD2 4882/4885DRD3 4864/4885
US-20160340341-A1 DNA-PK INHIBITORS POLK, DTYMK, DCK MAPK1 1351/4885DRD2 4882/4885DRD3 4864/4885
US-20210060028-A1 DNA-PK INHIBITORS POLK, DTYMK, DCK MAPK1 1217/4885DRD2 4882/4885DRD3 4867/4885
US-20140275024-A1 DNA-PK INHIBITORS POLK, DTYMK, DCK MAPK1 1351/4885DRD2 4882/4885DRD3 4864/4885
US-20160354381-A1 DNA-PK INHIBITORS POLK, DTYMK, DCK MAPK1 1351/4885DRD2 4882/4885DRD3 4864/4885
US-20210236505-A1 SUBSTITUTED QUINOXALINE DNA-PK INHIBITORS DTYMK, POLK, TOP1 MAPK1 1967/4885DRD2 4736/4885DRD3 4697/4885

“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.