SCHEMBL2035459

SCHEMBL2035459

Cc1ccc(OCCCN(C)C)c(NC(=O)Nc2cnccn2)c1

nearest known ligand 0.71

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.71
RAB9A P51151 6/20 0.60
NPC1 O15118 2/20 0.60
MEN1 O00255 4/20 0.54
KMT2A Q03164 4/20 0.54
POLB P06746 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
GAA P10253 1/20 0.51
CHEK1 O14757 1/20 0.50
HTT P42858 1/20 0.47
HSD17B10 Q99714 1/20 0.47
MAPT P10636 1/20 0.46
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C19 P33261 1/20 0.45
HRH3 Q9Y5N1 1/20 0.45

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
SCHEMBL2033637 0.96 KDM4E (0.71) KDM4ERAB9ANPC1MEN1KMT2A
SCHEMBL4298475 0.88 MEN1 (0.71) KDM4ERAB9ANPC1MEN1KMT2A
SCHEMBL14517887 0.88 KDM4E (0.68) KDM4ERAB9ANPC1MEN1KMT2A
SCHEMBL2035469 0.86 KDM4E (0.51) KDM4ERAB9ANPC1MEN1KMT2A
SCHEMBL14517906 0.86 KDM4E (0.73) KDM4ERAB9ANPC1MEN1KMT2A
SCHEMBL5372771 0.84 MEN1 (0.71) KDM4ERAB9AMEN1KMT2APOLB
SCHEMBL14517895 0.84 KDM4E (0.60) KDM4ERAB9ANPC1MEN1KMT2A
SCHEMBL14517916 0.84 CHEK1 (0.62) KDM4ERAB9ANPC1MEN1KMT2A
SCHEMBL5373752 0.83 KDM4E (1.00) KDM4ERAB9ANPC1MEN1KMT2A
SCHEMBL14517913 0.83 KDM4E (0.71) KDM4ERAB9ANPC1MEN1KMT2A

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 18 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
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-7202244-B2 Chk-1 inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-04-10 US disclosed
US-7202244-B2 Chk-1 inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-04-10 US disclosed
US-7202244-B2 Chk-1 inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-04-10 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
US-20040014765-A1 Chk-1 inhibitors MILLENNIUM PHARMACEUTICALS, INC. 2004-01-22 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
WO-2003101444-A1 DIARYLUREA COMPOUNDS AND DERIVATIVES AS CHK-1 INHIBITORS FOR THE TREATMENT OF CANCER MILLENNIUM PHARMACEUTICALS, INC. (US) 2003-12-11 WO 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 (4 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 2395/4885RAB9A 2377/4885NPC1 3046/4885
US-20050245525-A1 Compounds useful for inhibiting CHK1 CHEK1, PCNA, CHEK2 KDM4E 2395/4885RAB9A 2377/4885NPC1 3046/4885
US-20040014765-A1 Chk-1 inhibitors CHKA, CHKB, CHEK1 KDM4E 1251/4885RAB9A 3026/4885NPC1 573/4885
US-20030069284-A1 Compounds useful for inhibiting Chk1 CHEK1, PCNA, CHEK2 KDM4E 2395/4885RAB9A 2377/4885NPC1 3046/4885

“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.