SCHEMBL15328700

SCHEMBL15328700

CNC(=O)c1ccnc2c([C@H](C)CNc3cc(-c4cnc(C)nc4)ncn3)cccc12

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 2/20 0.63
SLC40A1 Q9NP59 2/20 0.39
FAAH O00519 11/20 0.37
CYP1A2 P05177 3/20 0.35
CYP3A4 P08684 3/20 0.35
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
HPGD P15428 2/20 0.35
CYP2C19 P33261 2/20 0.35
HSD17B10 Q99714 2/20 0.35
CYP2D6 P10635 1/20 0.35
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CLK4 Q9HAZ1 1/20 0.33
AURKA O14965 1/20 0.33
RPS6KB1 P23443 1/20 0.33
TSHR P16473 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
PDE4B Q07343 1/20 0.33

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
SCHEMBL16654055 1.00 PRKDC (0.63) PRKDCSLC40A1FAAHCYP1A2CYP3A4
SCHEMBL28551259 1.00 PRKDC (0.63) PRKDCSLC40A1FAAHCYP1A2CYP3A4
SCHEMBL29623963 1.00 PRKDC (0.63) PRKDCSLC40A1FAAHCYP1A2CYP3A4
SCHEMBL17874734 0.94 PRKDC (0.57) PRKDCSLC40A1FAAHCYP1A2CYP3A4
SCHEMBL17634671 0.94 PRKDC (0.60) PRKDCSLC40A1FAAHCYP1A2CYP3A4
SCHEMBL15339664 0.93 PRKDC (0.55) PRKDCSLC40A1FAAHCYP1A2CYP3A4
SCHEMBL17634581 0.93 PRKDC (0.57) PRKDCSLC40A1FAAHCYP1A2CYP3A4
SCHEMBL17634771 0.93 PRKDC (0.55) PRKDCSLC40A1FAAHCYP1A2CYP3A4
SCHEMBL15339608 0.92 PRKDC (0.54) PRKDCSLC40A1FAAHCYP1A2CYP3A4
SCHEMBL15339626 0.92 PRKDC (0.56) PRKDCSLC40A1FAAHCYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10716789-B2 Co-crystals and pharmaceutical compositions comprising the same VERTEX PHARMACEUTICALS INCORPORATED (US) 2020-07-21 US claimed
EP-3424920-B1 CO-CRYSTALS OF (S)-N-METHYL-8-(1-((2'-METHYL-[4,5'-BIPYRIMIDIN]-6-YL)AMINO)PROPAN-2-YL)QUINOLINE-4-CARBOXAMIDE AND DEUTERATED DERIVATIVES THEREOF AS DNA-PK INHIBITORS VERTEX PHARMA (US) 2020-04-15 EP claimed
EP-3424920-A1 CO-CRYSTALS OF (S)-N-METHYL-8-(1-((2'-METHYL-[4,5'-BIPYRIMIDIN]-6-YL)AMINO)PROPAN-2-YL)QUINOLINE-4-CARBOXAMIDE AND DEUTERATED DERIVATIVES THEREOF AS DNA-PK INHIBITORS Vertex Pharmaceuticals Incorporated (US) 2019-01-09 EP claimed
US-20180325897-A1 CO-CRYSTALS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME VERTEX PHARMACEUTICALS INCORPORATED 2018-11-15 US claimed
US-10039761-B2 Co-crystals and pharmaceutical compositions comprising the same VERTEX PHARMACEUTICALS INCORPORATED (US) 2018-08-07 US claimed
US-20160339024-A1 CO-CRYSTALS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-11-24 US claimed
US-12031150-B2 Methods, compositions and kits for increasing genome editing efficiency VERTEX PHARMACEUTICALS INCORPORATED (US) 2024-07-09 US disclosed
US-12031150-B2 Methods, compositions and kits for increasing genome editing efficiency VERTEX PHARMACEUTICALS INCORPORATED (US) 2024-07-09 US disclosed
EP-4219462-A1 METHODS, COMPOSITIONS AND KITS FOR INCREASING GENOME EDITING EFFICIENCY Vertex Pharmaceuticals Incorporated (US) 2023-08-02 EP disclosed
US-20230022146-A1 COMPOSITIONS AND METHODS FOR EDITING BETA-GLOBIN FOR TREATMENT OF HEMAGLOBINOPATHIES VERTEX PHARMACEUTICALS INCORPORATED 2023-01-26 US disclosed
US-20220186216-A1 Compositions and Methods for Treatment of Disorders Associated with Repetitive DNA VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-06-16 US disclosed
US-20220088043-A1 METHOD FOR TREATING CANCER USING A COMBINATION OF DNA-DAMAGING AGENTS AND DNA-PK INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2022-03-24 US disclosed
US-11124805-B2 Methods, compositions and kits for increasing genome editing efficiency VERTEX PHARMACEUTICALS INCORPORATED (US) 2021-09-21 US disclosed
US-20140045869-A1 DNA-PK INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2014-02-13 US disclosed
US-20140045869-A1 DNA-PK INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2014-02-13 US disclosed
US-20140045869-A1 DNA-PK INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2014-02-13 US disclosed
WO-2013163190-A1 DNA-PK INHIBITORS VERTEX PHARMACEUTICAL INCORPORATED (US) 2013-10-31 WO disclosed
US-20130281431-A1 DNA-PK INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2013-10-24 US disclosed
US-20130281431-A1 DNA-PK INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2013-10-24 US disclosed
US-20130281431-A1 DNA-PK INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2013-10-24 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 (10 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-11124805-B2 Methods, compositions and kits for increasing genome editing efficiency MRE11, DCLRE1B, XRCC6 PRKDC 46/4885SLC40A1 4631/4885FAAH 4251/4885
US-20140045869-A1 DNA-PK INHIBITORS POLK, DTYMK, DCK PRKDC 33/4885SLC40A1 4477/4885FAAH 3955/4885
US-20160339024-A1 CO-CRYSTALS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME SUCNR1, SDHA, SDHB PRKDC 4779/4885SLC40A1 599/4885FAAH 408/4885
US-12031150-B2 Methods, compositions and kits for increasing genome editing efficiency DCLRE1B, XRCC6, MRE11 PRKDC 30/4885SLC40A1 4582/4885FAAH 4171/4885
US-20230022146-A1 COMPOSITIONS AND METHODS FOR EDITING BETA-GLOBIN FOR TREATMENT OF HEMAGLOBINOPATHIES HBB, HBG1, HBG2 PRKDC 417/4885SLC40A1 1850/4885FAAH 3987/4885
US-10716789-B2 Co-crystals and pharmaceutical compositions comprising the same SUCNR1, SDHA, SDHB PRKDC 4779/4885SLC40A1 599/4885FAAH 408/4885
US-10039761-B2 Co-crystals and pharmaceutical compositions comprising the same SUCNR1, SDHA, SDHB PRKDC 4779/4885SLC40A1 599/4885FAAH 408/4885
US-20220088043-A1 METHOD FOR TREATING CANCER USING A COMBINATION OF DNA-DAMAGING AGENTS AND DNA-PK INHIBITORS TOP2B, TOP2A, TOP1 PRKDC 211/4885SLC40A1 3063/4885FAAH 4013/4885
US-20130281431-A1 DNA-PK INHIBITORS POLK, DTYMK, DCK PRKDC 33/4885SLC40A1 4477/4885FAAH 3955/4885
US-20180325897-A1 CO-CRYSTALS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME SUCNR1, SDHA, SDHB PRKDC 4779/4885SLC40A1 599/4885FAAH 408/4885

“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.