SCHEMBL13021082

SCHEMBL13021082

CC(C)Oc1ccc2cc[nH]c2n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.40
AXL P30530 1/20 0.37
NUDT1 P36639 1/20 0.37
TTBK1 Q5TCY1 1/20 0.36
TTBK2 Q6IQ55 1/20 0.36
ALDH1A1 P00352 1/20 0.35
APP P05067 1/20 0.35
MEN1 O00255 2/20 0.32
POLB P06746 2/20 0.32
KMT2A Q03164 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MAPK1 P28482 1/20 0.31
CDK8 P49336 1/20 0.31
GABRP O00591 1/20 0.30
GABRD O14764 1/20 0.30
GABRA1 P14867 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
SCHEMBL13021095 0.83 MCHR1 (0.36) BRD4AXLNUDT1APPGABRP
SCHEMBL26176322 0.81 AXL (0.37) BRD4AXLNUDT1APP
SCHEMBL30400588 0.81 AXL (0.37) BRD4AXLNUDT1APP
SCHEMBL29850412 0.79 BRD4 (0.50) BRD4AXLNUDT1APPMEN1
SCHEMBL1150426 0.79 BRD4 (0.50) BRD4AXLNUDT1APPMEN1
SCHEMBL13021096 0.77 BTK (0.40) BRD4AXLNUDT1APPCDK8
SCHEMBL12889421 0.74 NUDT1 (0.41) BRD4AXLNUDT1TTBK1TTBK2
SCHEMBL9379612 0.73 ALDH1A1 (0.34) ALDH1A1GABRPGABRDGABRA1GABRB1
SCHEMBL8751962 0.72 XDH (0.35) TTBK1TTBK2ALDH1A1SMN1; SMN2GABRP
SCHEMBL12889423 0.71 BRD4 (0.38) BRD4AXLNUDT1ALDH1A1CDK8

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 BRD4 603/4885AXL 4356/4885NUDT1 1663/4885

“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.