SCHEMBL21037206

SCHEMBL21037206

CC(C)Cc1cnc2nnccc2c1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.33
PDE10A Q9Y233 1/20 0.31
GABRA1 P14867 1/20 0.31
GABRB2 P47870 1/20 0.31
GCK P35557 1/20 0.31
KDM4E B2RXH2 1/20 0.30
POLB P06746 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
MAPK1 P28482 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
SCHEMBL20100774 0.79 ABL1 (0.34) ABL1
SCHEMBL23421555 0.79 ACP1 (0.38) ABL1PDE10AGCKKDM4EMAPK1
SCHEMBL21477606 0.75 DHFR (0.32)
SCHEMBL19386404 0.73 GABRA1 (0.40) ABL1PDE10AGABRA1GABRB2KDM4E
SCHEMBL13238097 0.72 CCR1 (0.47) KDM4ESMN1; SMN2MAPK1
SCHEMBL23432578 0.71 ABL1 (0.34) ABL1GABRA1POLBMAPK1
SCHEMBL18417280 0.70 GABRA1 (0.40) ABL1GABRA1GABRB2POLB
SCHEMBL19513277 0.69 GABRA1 (0.42) ABL1PDE10AGABRA1GABRB2
SCHEMBL21037209 0.69 PDE10A (0.36) ABL1PDE10AGABRA1GABRB2
SCHEMBL21037108 0.69 AKT1 (0.40) ABL1PDE10A

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 ABL1 542/4885PDE10A 970/4885GABRA1 639/4885
US-20190160060-A1 SUBSTITUTED BENZALDEHYDE COMPOUNDS AND METHODS FOR THEIR USE IN INCREASING TISSUE OXYGENATION HBB, HBG2, MB ABL1 542/4885PDE10A 970/4885GABRA1 639/4885

“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.