SCHEMBL5377213

SCHEMBL5377213

COc1ccccc1NC(=O)Nc1cnccn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 1.00
MEN1 O00255 4/20 0.77
KMT2A Q03164 4/20 0.77
SMN1; SMN2 Q16637 4/20 0.77
HTT P42858 1/20 0.70
HSD17B10 Q99714 1/20 0.70
POLB P06746 2/20 0.70
AHR P35869 1/20 0.66
CHEK1 O14757 3/20 0.64
NPC1 O15118 1/20 0.58
ALDH1A1 P00352 1/20 0.58
RAB9A P51151 1/20 0.58
PRKD3 O94806 2/20 0.57
MAP4K4 O95819 2/20 0.57
PIM1 P11309 2/20 0.57
CDK8 P49336 2/20 0.57
CLK2 P49760 2/20 0.57
GSK3A P49840 2/20 0.57
GSK3B P49841 2/20 0.57
LIMK1 P53667 2/20 0.57

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
SCHEMBL5377039 0.84 KDM4E (0.73) KDM4EMEN1KMT2ASMN1; SMN2HTT
SCHEMBL2033652 0.83 KDM4E (0.71) KDM4EMEN1KMT2ASMN1; SMN2HTT
SCHEMBL5373752 0.83 KDM4E (1.00) KDM4EMEN1KMT2ASMN1; SMN2HTT
SCHEMBL5373521 0.83 KDM4E (0.71) KDM4EMEN1KMT2ASMN1; SMN2HTT
SCHEMBL2031578 0.82 KDM4E (0.70) KDM4EMEN1KMT2ASMN1; SMN2HTT
SCHEMBL14517953 0.82 KDM4E (0.74) KDM4EMEN1KMT2ASMN1; SMN2HTT
SCHEMBL2035848 0.82 KDM4E (0.76) KDM4EMEN1KMT2ASMN1; SMN2HTT
SCHEMBL5372209 0.82 KMT2A (1.00) KDM4EMEN1KMT2APOLBCHEK1
SCHEMBL14517906 0.82 KDM4E (0.73) KDM4EMEN1KMT2ASMN1; SMN2HTT
SCHEMBL14517911 0.82 KDM4E (0.73) KDM4EMEN1KMT2ASMN1; 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-20040014765-A1 Chk-1 inhibitors MILLENNIUM PHARMACEUTICALS, INC. 2004-01-22 US 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 2395/4885MEN1 1983/4885KMT2A 1546/4885
US-20040014765-A1 Chk-1 inhibitors CHKA, CHKB, CHEK1 KDM4E 1251/4885MEN1 1973/4885KMT2A 1919/4885

“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.