SCHEMBL21037209

SCHEMBL21037209

CC(C)Cc1cnc2cnncc2c1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.36
MMP2 P08253 1/20 0.33
MMP9 P14780 1/20 0.33
MMP8 P22894 1/20 0.33
ABL1 P00519 1/20 0.33
GABRA1 P14867 1/20 0.31
GABRB2 P47870 1/20 0.31
NOS3 P29474 1/20 0.30
NOS1 P29475 1/20 0.30
NOS2 P35228 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
SCHEMBL19513277 0.78 GABRA1 (0.42) PDE10AMMP2MMP9MMP8ABL1
SCHEMBL21037108 0.77 AKT1 (0.40) PDE10AMMP2MMP9MMP8ABL1
SCHEMBL29297673 0.76 ABL1 (0.44) PDE10AMMP2MMP9MMP8ABL1
SCHEMBL826949 0.76 PDE10A (0.55) PDE10AMMP2MMP9MMP8
SCHEMBL21764163 0.75 MMP2 (0.37) PDE10AMMP2MMP9MMP8ABL1
SCHEMBL20100774 0.74 ABL1 (0.34) ABL1
SCHEMBL22475741 0.74 PDE10A (0.47) PDE10AMMP2MMP9MMP8ABL1
SCHEMBL2467449 0.73 ABL1 (0.47) ABL1GABRA1GABRB2
SCHEMBL22134831 0.73 CYP1A2 (0.42) PDE10AMMP2MMP9MMP8ABL1
SCHEMBL18571624 0.73 ESR2 (0.50) PDE10AMMP2MMP9MMP8ABL1

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-10806733-B2 Substituted benzaldehyde compounds and methods for their use in increasing tissue oxygenation GLOBAL BLOOD THERAPEUTICS, INC. (US) 2020-10-20 US disclosed
US-20190160060-A1 SUBSTITUTED BENZALDEHYDE COMPOUNDS AND METHODS FOR THEIR USE IN INCREASING TISSUE OXYGENATION GLOBAL BLOOD THERAPEUTICS, INC. 2019-05-30 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 (2 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-10806733-B2 Substituted benzaldehyde compounds and methods for their use in increasing tissue oxygenation HBB, HBG2, MB PDE10A 970/4885MMP2 2139/4885MMP9 3014/4885
US-20190160060-A1 SUBSTITUTED BENZALDEHYDE COMPOUNDS AND METHODS FOR THEIR USE IN INCREASING TISSUE OXYGENATION HBB, HBG2, MB PDE10A 970/4885MMP2 2139/4885MMP9 3014/4885

“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.