SCHEMBL15328563

SCHEMBL15328563

Cc1ncc(-c2cc(Cl)ncn2)cn1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 1/20 0.34
CYP1B1 Q16678 1/20 0.34
KMO O15229 7/20 0.34
PIM1 P11309 2/20 0.34
CDC7 O00311 1/20 0.34
DAPK3 O43293 1/20 0.34
MAP4K4 O95819 1/20 0.34
PRKACA P17612 1/20 0.34
FLT3 P36888 1/20 0.34
CDK8 P49336 1/20 0.34
CLK2 P49760 1/20 0.34
GSK3B P49841 1/20 0.34
CDK7 P50613 1/20 0.34
CDK9 P50750 1/20 0.34
PRKX P51817 1/20 0.34
CDK5 Q00535 1/20 0.34
DYRK1A Q13627 1/20 0.34
PKN2 Q16513 1/20 0.34
MINK1 Q8N4C8 1/20 0.34
HIPK2 Q9H2X6 1/20 0.34

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
SCHEMBL15328559 0.79 KMO (0.41) KMOPIM1CDC7DAPK3MAP4K4
SCHEMBL15051745 0.78 GRM5 (0.40) CYP1A1CYP1B1KMOPIM1CDC7
SCHEMBL19355319 0.76 ASIC3 (0.55) CYP1A1CYP1B1KMOAAK1
SCHEMBL15339601 0.76 KDM4E (0.46) KMOPIM1CDC7DAPK3MAP4K4
SCHEMBL15356377 0.76 AAK1 (0.34) KMOPIM1CDC7DAPK3MAP4K4
SCHEMBL16635390 0.76 AAK1 (0.39) KMOPIM1CDC7DAPK3MAP4K4
SCHEMBL22838564 0.73 CYP1A2 (0.51) CLK4ALDH1A1
SCHEMBL15077464 0.73 KMO (0.45) CYP1A1CYP1B1KMOPIM1CDC7
SCHEMBL3921315 0.72 MKNK1 (0.45) KMO
SCHEMBL21010622 0.72 AAK1 (0.37) CYP1A1CYP1B1AAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112574179-B DNA-PK inhibitors 山东轩竹医药科技有限公司 2022-05-10 CN disclosed
US-11021465-B2 DNA-PK inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2021-06-01 US disclosed
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
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
EP-3459942-B1 DNA-PK INHIBITORS VERTEX PHARMA (US) 2020-12-30 EP disclosed
CN-106977495-B DNA-PK inhibitors 沃泰克斯药物股份有限公司 2020-08-04 CN disclosed
US-20200109130-A1 DNA-PK INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2020-04-09 US disclosed
US-20200062732-A1 DNA-PK INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2020-02-27 US disclosed
WO-2015058031-A1 DNA-PK INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-04-23 WO disclosed
EP-2841428-A1 DNA-PK INHIBITORS Vertex Pharmaceuticals Incorporated (US) 2015-03-04 EP 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
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 (6 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-20140045869-A1 DNA-PK INHIBITORS POLK, DTYMK, DCK CYP1A1 2554/4885CYP1B1 2274/4885KMO 2181/4885
US-20200109130-A1 DNA-PK INHIBITORS POLK, DTYMK, DCK CYP1A1 2554/4885CYP1B1 2274/4885KMO 2181/4885
US-11008305-B2 DNA-PK inhibitors POLK, DTYMK, DCK CYP1A1 2554/4885CYP1B1 2274/4885KMO 2181/4885
US-20200062732-A1 DNA-PK INHIBITORS POLK, DTYMK, DCK CYP1A1 2554/4885CYP1B1 2274/4885KMO 2181/4885
US-20130281431-A1 DNA-PK INHIBITORS POLK, DTYMK, DCK CYP1A1 2554/4885CYP1B1 2274/4885KMO 2181/4885
US-11021465-B2 DNA-PK inhibitors POLK, DTYMK, DCK CYP1A1 2554/4885CYP1B1 2274/4885KMO 2181/4885

“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.