SCHEMBL972623

SCHEMBL972623

Cc1ncccc1-c1ccnc(N)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 2/20 0.49
MKNK2 Q9HBH9 2/20 0.49
NOS3 P29474 3/20 0.47
NOS1 P29475 3/20 0.47
NOS2 P35228 3/20 0.47
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
DYRK1A Q13627 11/20 0.45
DYRK2 Q92630 2/20 0.45
DYRK1B Q9Y463 2/20 0.45
DYRK3 O43781 1/20 0.45
CLK1 P49759 1/20 0.45
DYRK4 Q9NR20 1/20 0.45
AKT1 P31749 1/20 0.44
PRMT5 O14744 1/20 0.43
WDR77 Q9BQA1 1/20 0.43
MAP4K4 O95819 1/20 0.42
PIM1 P11309 1/20 0.41
CDK9 P50750 1/20 0.41

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
SCHEMBL29890904 0.82 CYP11B2 (0.48) MKNK1MKNK2DYRK1ADYRK2DYRK1B
SCHEMBL580847 0.82 CYP11B2 (0.48) MKNK1MKNK2DYRK1ADYRK2DYRK1B
SCHEMBL7774199 0.81 MKNK2 (0.47) MKNK1MKNK2DYRK1APRMT5WDR77
SCHEMBL3363667 0.80 CTSD (0.53) NOS3NOS1NOS2KDM4EMEN1
SCHEMBL11624257 0.79 MAP4K4 (0.69) MKNK1MKNK2MEN1AKT1PRMT5
SCHEMBL558935 0.78 ALOX5AP (0.55) NOS3NOS1NOS2DYRK1ADYRK2
SCHEMBL945362 0.77 MKNK1 (0.63) MKNK1MKNK2PRMT5WDR77PIM1
SCHEMBL15730772 0.76 MKNK1 (0.50) MKNK1MKNK2PRMT5WDR77MAP4K4
SCHEMBL13368032 0.76 MKNK1 (0.62) MKNK1MKNK2NOS3NOS1NOS2
SCHEMBL15730148 0.75 MKNK1 (0.57) MKNK1MKNK2NOS3NOS2DYRK1A

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-7868177-B2 Multi-cyclic compounds and method of use AMGEN INC. (US) 2011-01-11 US disclosed
US-20070213325-A1 Multi-cyclic compound and method of use AMGEN INC. (US) 2007-09-13 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-20070213325-A1 Multi-cyclic compound and method of use TIE1, CDK1, CCNB1 MKNK1 136/4885MKNK2 147/4885NOS3 871/4885

“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.