SCHEMBL13064310

SCHEMBL13064310

Cc1cn(C(C)C)c2nc(-c3ccccn3)ccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.42
LMNA P02545 5/20 0.42
HTT P42858 5/20 0.42
TDP1 Q9NUW8 4/20 0.42
TP53 P04637 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
CCR1 P32246 2/20 0.42
CCR5 P51681 2/20 0.42
CCR8 P51685 2/20 0.42
ALOX15 P16050 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
HSP90AA1 P07900 2/20 0.42
MAPK1 P28482 2/20 0.42
ALPL P05186 1/20 0.42
ALPI P09923 1/20 0.42
ALPG P10696 1/20 0.42
FLT3 P36888 2/20 0.40
GSK3B P49841 1/20 0.40
CYP1A2 P05177 1/20 0.39
POLB P06746 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
SCHEMBL12874899 0.85 KDM4E (0.41) KDM4ELMNAHTTTDP1TP53
SCHEMBL12889428 0.77 PDE4A (0.42) KDM4EHTTSMN1; SMN2CCR1CCR8
SCHEMBL12889666 0.76 RAB9A (0.40) HSP90AA1HPGDRAB9APDE10A
SCHEMBL12889431 0.76 CYP2A6 (0.46) KDM4ELMNAHTTTDP1HSP90AA1
SCHEMBL12889716 0.71 MAPT (0.37) HTTALDH1A1PKMMAPTMAP3K5
SCHEMBL13064335 0.69 NCF1 (0.33) CYP1A2TYK2
SCHEMBL11927613 0.67 KDM4E (0.59) KDM4ELMNAHTTTDP1TP53
SCHEMBL21948075 0.66 TYK2 (0.35) GSK3BTYK2DYRK1A
Dipyridyl SCHEMBL3796795 0.65 KDM4E (0.93) KDM4ELMNAHTTTDP1TP53
Dipyridyl SCHEMBL722577 0.65 KDM4E (0.93) KDM4ELMNAHTTTDP1TP53

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-7842692-B2 Azaindole derivative having PGD2 receptor antagonistic activity SHIONOGI & CO., LTD. (JP) 2010-11-30 US disclosed
US-20090197881-A1 Azaindole Derivative Having PGD2 Receptor Antagonistic Activity SHIONOGI & CO., LTD. (JP) 2009-08-06 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-20090197881-A1 Azaindole Derivative Having PGD2 Receptor Antagonistic Activity PTGDR, HRH2, PTGDR2 KDM4E 1732/4885LMNA 3372/4885HTT 4310/4885

“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.