SCHEMBL214529

SCHEMBL214529

CCN(CC)CCOc1ccc2[nH]c(NC(=O)c3c(C(N)=O)ncn3-c3c(Cl)cccc3Cl)nc2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.42
WEE1 P30291 3/20 0.41
KDR P35968 4/20 0.40
LCK P06239 3/20 0.40
CHEK1 O14757 2/20 0.40
MAP4K4 O95819 2/20 0.40
CSF1R P07333 2/20 0.40
FLT3 P36888 2/20 0.40
MAP4K2 Q12851 2/20 0.40
MINK1 Q8N4C8 2/20 0.40
AURKB Q96GD4 2/20 0.40
STK17A Q9UEE5 2/20 0.40
MAP4K5 Q9Y4K4 2/20 0.40
PIM1 P11309 1/20 0.40
PHKG2 P15735 1/20 0.40
MARK3 P27448 1/20 0.40
CLK2 P49760 1/20 0.40
GSK3A P49840 1/20 0.40
ITK Q08881 1/20 0.40
DYRK1A Q13627 1/20 0.40

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
SCHEMBL213579 0.87 LMNA (0.43) WEE1KDRMAP4K4AURKBSTK17A
SCHEMBL214296 0.85 CHEK2 (0.43) HRH3BRAFMET
SCHEMBL216121 0.84 KDM4E (0.38) LMNAMAPK1HIF1AMETPRKAA1
SCHEMBL214940 0.83 HDAC6 (0.38) KDRLCKCHEK1MAP4K4CSF1R
SCHEMBL215459 0.80 CHEK2 (0.46) KDRFLT3SRCFGFR1ABL1
SCHEMBL214859 0.80 CHEK2 (0.47) KDRCHEK1FLT3ABL1PDGFRB
SCHEMBL214530 0.77 HRH3 (0.49) HRH3KDRLCKCHEK1MAP4K4
SCHEMBL214015 0.74 MAOB (0.53) KDR
SCHEMBL214720 0.74 HCAR1 (0.35) KDRABL1EPHB4MAPK1MAPT
SCHEMBL215076 0.74 CHEK2 (0.47) FGFR1BRAFLMNAMAPK1HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8088767-B2 JAK-2 modulators and methods of use EXELIXIS, INC. (US) 2012-01-03 US disclosed
US-20100136136-A1 JAK-2 Modulators and Methods of Use EXELIXIS, INC. (US) 2010-06-03 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 (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-20100136136-A1 JAK-2 Modulators and Methods of Use JAK2, JAK1, JAK3 HRH3 1553/4885WEE1 1480/4885KDR 535/4885

“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.