SCHEMBL2021808

SCHEMBL2021808

CCCNn1nnnc1-c1ccnc(NCCc2ccncc2)n1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 16/20 0.47
MKNK2 Q9HBH9 16/20 0.47
FLT3 P36888 2/20 0.41
ADRA2B P18089 1/20 0.39
ADRA2C P18825 1/20 0.39
SLC6A2 P23975 1/20 0.39
HRH2 P25021 1/20 0.39
HTR1D P28221 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
HTR7 P34969 1/20 0.39
HTR2B P41595 1/20 0.39
HTR5A P47898 1/20 0.39
HTR6 P50406 1/20 0.39
SLC6A3 Q01959 1/20 0.39
TMEM97 Q5BJF2 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
HRH4 Q9H3N8 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39

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
SCHEMBL16450076 0.74 HTR7 (0.51) MKNK1MKNK2FLT3HTR7
SCHEMBL4906864 0.72 MKNK1 (0.71) MKNK1MKNK2
SCHEMBL4905848 0.69 MKNK1 (0.66) MKNK1MKNK2
SCHEMBL4907136 0.65 MKNK1 (0.55) MKNK1MKNK2
SCHEMBL18803536 0.65 MKNK1 (1.00) MKNK1MKNK2
SCHEMBL3645075 0.65 MKNK1 (0.60) MKNK1MKNK2
SCHEMBL28133994 0.64 HPGD (0.59) MKNK1MKNK2
SCHEMBL12644984 0.63 KCNH3 (0.58) MKNK1MKNK2
SCHEMBL15584142 0.63 FLT3 (0.56) MKNK1MKNK2FLT3
SCHEMBL18803533 0.62 MKNK1 (1.00) MKNK1MKNK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7956060-B2 Pyrimidine derivative compound KYOWA HAKKO KIRIN CO., LTD. (JP) 2011-06-07 US disclosed
US-20090012060-A1 Antitumor Agent KYOWA HAKKO KOGYO CO., LTD. (JP) 2009-01-08 US disclosed
EP-1749827-A1 ANTI-TUMOR AGENT KYOWA HAKKO KOGYO CO., LTD. (JP) 2007-02-07 EP 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-20090012060-A1 Antitumor Agent NR1H3, NR1I3, NR0B1 MKNK1 2072/4885MKNK2 2559/4885FLT3 155/4885

“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.