SCHEMBL5368898

SCHEMBL5368898

COc1ccc(C(F)(F)F)cc1NC(=O)Nc1cnccn1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.71
MEN1 O00255 3/20 0.70
KMT2A Q03164 3/20 0.70
POLB P06746 2/20 0.70
CLK2 P49760 4/20 0.63
CLK4 Q9HAZ1 4/20 0.63
STK17A Q9UEE5 4/20 0.63
DYRK3 O43781 3/20 0.63
PRKD3 O94806 3/20 0.63
MAP4K4 O95819 3/20 0.63
CDK2 P24941 3/20 0.63
KDR P35968 3/20 0.63
GSK3B P49841 3/20 0.63
LIMK1 P53667 3/20 0.63
CDK5 Q00535 3/20 0.63
DYRK1A Q13627 3/20 0.63
BRSK1 Q8TDC3 3/20 0.63
CSNK1G2 P78368 2/20 0.63
PIM3 Q86V86 2/20 0.63
AURKB Q96GD4 2/20 0.63

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
SCHEMBL31440788 0.84 KMT2A (0.61) KDM4EMEN1KMT2APOLBBRAF
SCHEMBL5373752 0.83 KDM4E (1.00) KDM4EMEN1KMT2APOLBCHEK1
SCHEMBL5372209 0.82 KMT2A (1.00) KDM4EMEN1KMT2APOLBCHEK1
SCHEMBL2035848 0.82 KDM4E (0.76) KDM4EMEN1KMT2APOLBCHEK1
SCHEMBL2031887 0.81 KDM4E (0.74) KDM4EMEN1KMT2APOLBCHEK1
SCHEMBL2031582 0.81 KDM4E (0.74) KDM4EMEN1KMT2APOLBCHEK1
SCHEMBL2237927 0.81 MEN1 (0.71) KDM4EMEN1KMT2ABRAFRAF1
SCHEMBL5373531 0.81 KDM4E (0.73) KDM4EMEN1KMT2APOLBCHEK1
SCHEMBL3314663 0.81 KDM4E (0.73) KDM4EMEN1KMT2APOLBCHEK1
SCHEMBL5377213 0.79 KDM4E (1.00) KDM4EMEN1KMT2APOLBCLK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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-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.