SCHEMBL25876262

SCHEMBL25876262

Cc1nc(Cl)nc2c1cnn2C1COC1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE1B Q01064 7/20 0.40
PDE1C Q14123 7/20 0.40
PDE1A P54750 5/20 0.40
LRRK2 Q5S007 5/20 0.39
GRM1 Q13255 1/20 0.38
PDE2A O00408 1/20 0.37
ALDH1A2 O94788 2/20 0.36
ALDH1A1 P00352 2/20 0.36
PDE9A O76083 2/20 0.35
CNR2 P34972 1/20 0.34
PDE4D Q08499 1/20 0.34
ALDH1A3 P47895 1/20 0.34
CYP1A2 P05177 1/20 0.33

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
SCHEMBL25876138 0.86 GRM1 (0.45) PDE1BPDE1CPDE1AGRM1PDE2A
SCHEMBL25876057 0.81 GRM1 (0.42) PDE1BPDE1CPDE1AGRM1PDE2A
SCHEMBL60960 0.80 GRM1 (0.41) PDE1BPDE1CPDE1AGRM1PDE2A
SCHEMBL61885 0.80 PLK4 (0.45) PDE1BPDE1CPDE1AGRM1PDE2A
SCHEMBL25876055 0.80 PDE9A (0.36) PDE1BPDE1CPDE1AGRM1PDE2A
SCHEMBL60962 0.79 GRM1 (0.46) PDE1BPDE1CPDE1AGRM1PDE2A
SCHEMBL30329146 0.78 LRRK2 (0.38) PDE1BPDE1CPDE1ALRRK2ALDH1A1
SCHEMBL60969 0.78 PIK3CA (0.42) PDE1BPDE1CPDE1AGRM1PDE9A
SCHEMBL24955763 0.77 CNR2 (0.38) LRRK2CNR2
SCHEMBL31106985 0.77 CNR2 (0.38) LRRK2CNR2

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 PDE1B 397/4885PDE1C 798/4885PDE1A 491/4885

“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.