SCHEMBL22018908

SCHEMBL22018908

Bc1cc2ncccn2n1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
APOBEC3A P31941 1/20 0.53
APOBEC3G Q9HC16 1/20 0.53
PDE10A Q9Y233 1/20 0.36
SMPD3 Q9NY59 2/20 0.33
AXL P30530 1/20 0.33
PIK3CG P48736 2/20 0.33
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
MAP4K4 O95819 1/20 0.31
PRKACA P17612 1/20 0.31
CDK8 P49336 1/20 0.31
MAPK14 Q16539 1/20 0.31
LRRK2 Q5S007 1/20 0.31
CLK4 Q9HAZ1 1/20 0.31
DYRK1A Q13627 1/20 0.31
CDK2 P24941 1/20 0.31

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
SCHEMBL30708692 0.78 APOBEC3A (0.61) APOBEC3AAPOBEC3GPDE10ASMPD3AXL
SCHEMBL2340742 0.75 APOBEC3A (0.58) APOBEC3AAPOBEC3GPDE10ASMPD3AXL
SCHEMBL21863369 0.75 APOBEC3A (0.53) APOBEC3AAPOBEC3GPDE10ASMPD3AXL
SCHEMBL2181213 0.75 APOBEC3A (0.53) APOBEC3AAPOBEC3GPDE10ASMPD3AXL
SCHEMBL9792881 0.75 APOBEC3A (0.53) APOBEC3AAPOBEC3GPDE10ASMPD3AXL
SCHEMBL5435763 0.75 APOBEC3A (0.53) APOBEC3AAPOBEC3GPDE10ASMPD3AXL
SCHEMBL4789376 0.75 APOBEC3A (0.53) APOBEC3AAPOBEC3GPDE10ASMPD3AXL
SCHEMBL1441278 0.75 APOBEC3A (0.53) APOBEC3AAPOBEC3GPDE10ASMPD3AXL
SCHEMBL30118007 0.73 APOBEC3A (0.56) APOBEC3AAPOBEC3GPDE10ASMPD3AXL
Hydrochloric Acid SCHEMBL4800485 0.73 APOBEC3A (0.51) APOBEC3AAPOBEC3GPDE10ASMPD3PIK3CG

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200157119-A1 MACROCYCLIC COMPOUNDS AND USES THEREOF Turning Point Therapeutics, Inc. 2020-05-21 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-20200157119-A1 MACROCYCLIC COMPOUNDS AND USES THEREOF CSF3R, CSF1R, FLT3 APOBEC3A 3993/4885APOBEC3G 4188/4885PDE10A 1472/4885

“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.