SCHEMBL25876283

SCHEMBL25876283

CCCn1ncc2c(C)nc(Cl)nc21

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE1A P54750 3/20 0.44
PDE1B Q01064 3/20 0.44
PDE1C Q14123 3/20 0.44
PDE2A O00408 2/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
ALDH1A1 P00352 2/20 0.37
ADORA2A P29274 1/20 0.37
ADORA2B P29275 1/20 0.37
POLB P06746 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL25876223 0.87 PDE2A (0.40) PDE1APDE1BPDE1CPDE2A
SCHEMBL25875949 0.87 ADORA3 (0.42) PDE2AALDH1A1ADORA2ASMN1; SMN2
SCHEMBL2786539 0.85 PDE1A (0.42) PDE1APDE1BPDE1CPDE2ANPC1
SCHEMBL25875979 0.78 PDE2A (0.35) PDE2A
SCHEMBL25876313 0.78 CYP17A1 (0.43) PDE2AALDH1A1SMN1; SMN2
SCHEMBL24393156 0.78 PDE2A (0.62) PDE2AALDH1A1
SCHEMBL25876067 0.77 PDE1A (0.41) PDE1APDE1BPDE1CPDE2AALDH1A1
SCHEMBL2804826 0.76 PDE2A (0.39) PDE2A
SCHEMBL31406223 0.76 PDE1A (0.43) PDE1APDE1BPDE1CNPC1RAB9A
SCHEMBL30095837 0.76 PDE2A (0.39) PDE2A

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-20230234954-A1 COMPOUND USED AS RET KINASE INHIBITOR AND APPLICATION THEREOF TYK MEDICINES, INC. (CN) 2023-07-27 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-20230234954-A1 COMPOUND USED AS RET KINASE INHIBITOR AND APPLICATION THEREOF RET, ROR1, FGFR3 PDE1A 491/4885PDE1B 397/4885PDE1C 798/4885

“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.