SCHEMBL2033652

SCHEMBL2033652

O=C(Nc1cnccn1)Nc1ccccc1OC(F)F

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.71
KMT2A Q03164 5/20 0.68
MEN1 O00255 3/20 0.68
SMN1; SMN2 Q16637 2/20 0.68
HTT P42858 2/20 0.59
HSD17B10 Q99714 1/20 0.59
PRKD3 O94806 3/20 0.54
MAP4K4 O95819 3/20 0.54
CLK2 P49760 3/20 0.54
GSK3A P49840 3/20 0.54
GSK3B P49841 3/20 0.54
CDK5 Q00535 3/20 0.54
DYRK1A Q13627 3/20 0.54
CLK4 Q9HAZ1 3/20 0.54
CHEK1 O14757 2/20 0.54
PIM1 P11309 2/20 0.54
CDK8 P49336 2/20 0.54
LIMK1 P53667 2/20 0.54
PRKAA1 Q13131 2/20 0.54
CDK1 P06493 2/20 0.54

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
SCHEMBL5377213 0.83 KDM4E (1.00) KDM4EKMT2AMEN1SMN1; SMN2HTT
SCHEMBL5373521 0.82 KDM4E (0.71) KDM4EKMT2AMEN1SMN1; SMN2HTT
SCHEMBL14517953 0.79 KDM4E (0.74) KDM4EKMT2AMEN1SMN1; SMN2HTT
SCHEMBL14517911 0.79 KDM4E (0.73) KDM4EKMT2AMEN1SMN1; SMN2HTT
SCHEMBL14517914 0.78 KDM4E (0.72) KDM4EKMT2AMEN1SMN1; SMN2HTT
SCHEMBL31060394 0.78 KDM4E (0.72) KDM4EKMT2AMEN1SMN1; SMN2HTT
SCHEMBL29366589 0.78 KDM4E (0.72) KDM4EKMT2AMEN1SMN1; SMN2HTT
SCHEMBL14517926 0.77 PRKD3 (0.75) KDM4EKMT2AMEN1SMN1; SMN2HTT
SCHEMBL4112485 0.77 KDM4E (0.70) KDM4EKMT2AMEN1SMN1; SMN2HTT
SCHEMBL14517906 0.76 KDM4E (0.73) KDM4EKMT2AMEN1SMN1; SMN2HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1379510-B1 ARYL AND HETEROARYL UREA CHK1 INHIBITORS FOR USE AS RADIOSENSITIZERS AND CHEMOSENSITIZERS ICOS CORP (US) 2011-06-01 EP disclosed
US-20100105683-A1 COMPOUNDS USEFUL FOR INHIBITING CHK1 KEEGAN KATHLEEN S 2010-04-29 US disclosed
US-20100105683-A1 COMPOUNDS USEFUL FOR INHIBITING CHK1 KEEGAN KATHLEEN S 2010-04-29 US disclosed
US-20100105683-A1 COMPOUNDS USEFUL FOR INHIBITING CHK1 KEEGAN KATHLEEN S 2010-04-29 US disclosed
US-7608618-B2 Urea or thiourea substituted 1,4-pyrazine compounds useful as anti-cancer agents and for inhibiting Chk1 ICOS CORPORATION (US) 2009-10-27 US disclosed
US-7608618-B2 Urea or thiourea substituted 1,4-pyrazine compounds useful as anti-cancer agents and for inhibiting Chk1 ICOS CORPORATION (US) 2009-10-27 US disclosed
US-7608618-B2 Urea or thiourea substituted 1,4-pyrazine compounds useful as anti-cancer agents and for inhibiting Chk1 ICOS CORPORATION (US) 2009-10-27 US disclosed
US-7067506-B2 Compounds useful for inhibiting Chk1 ICOS CORPORATION (US) 2006-06-27 US disclosed
US-20050245525-A1 Compounds useful for inhibiting CHK1 ICOS CORPORATION (US) 2005-11-03 US disclosed
EP-1379510-A1 ARYL AND HETEROARYL UREA CHK1 INHIBITORS FOR USE AS RADIOSENSITIZERS AND CHAMOSENSITIZERS ICOS CORPORATION (US) 2004-01-14 EP disclosed
US-20030069284-A1 Compounds useful for inhibiting Chk1 ICOS CORPORATION (A WASHINGTON CORPORATION) 2003-04-10 US disclosed
WO-2002070494-A1 ARYL AND HETEROARYL UREA CHK1 INHIBITORS FOR USE AS RADIOSENSITIZERS AND CHAMOSENSITIZERS ICOS CORPORATION (US) 2002-09-12 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 (3 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-20100105683-A1 COMPOUNDS USEFUL FOR INHIBITING CHK1 CHEK1, PCNA, CHEK2 KDM4E 2395/4885KMT2A 1546/4885MEN1 1983/4885
US-20050245525-A1 Compounds useful for inhibiting CHK1 CHEK1, PCNA, CHEK2 KDM4E 2395/4885KMT2A 1546/4885MEN1 1983/4885
US-20030069284-A1 Compounds useful for inhibiting Chk1 CHEK1, PCNA, CHEK2 KDM4E 2395/4885KMT2A 1546/4885MEN1 1983/4885

“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.