SCHEMBL13064335

SCHEMBL13064335

CNc1ccc2c(C)cn(C(C)C)c2n1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 2/20 0.33
PDPK1 O15530 1/20 0.32
TYK2 P29597 1/20 0.31
LRRK2 Q5S007 1/20 0.31
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C19 P33261 1/20 0.30
EZH2 Q15910 1/20 0.30

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
SCHEMBL12889667 0.78 MEN1 (0.38)
SCHEMBL12889437 0.77
SCHEMBL13064309 0.74 CYP1A2 (0.41) TYK2CYP1A2
SCHEMBL12889394 0.71 KDM4E (0.39) CYP1A2
SCHEMBL12889428 0.69 PDE4A (0.42) TYK2CYP1A2CYP2C19
SCHEMBL13064310 0.69 KDM4E (0.42) TYK2CYP1A2
SCHEMBL12889716 0.68 MAPT (0.37)
SCHEMBL12889640 0.68 ADORA2A (0.43)
SCHEMBL21948075 0.68 TYK2 (0.35) TYK2
SCHEMBL11589595 0.68 NQO2 (0.44) NCF1

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 NCF1 2414/4885PDPK1 2209/4885TYK2 1387/4885

“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.