SCHEMBL25876223

SCHEMBL25876223

Cc1nc(Cl)nc2c1cnn2CCF

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 8/20 0.40
KMT2A Q03164 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
PDE1A P54750 1/20 0.34
PDE1B Q01064 1/20 0.34
PDE1C Q14123 1/20 0.34
GAA P10253 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
SCHEMBL25876283 0.87 PDE1A (0.44) PDE2APDE1APDE1BPDE1C
SCHEMBL17926576 0.83 HSP90AA1 (0.39) PDE2AKMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL25875949 0.83 ADORA3 (0.42) PDE2AKMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL25876313 0.81 CYP17A1 (0.43) PDE2ACYP1A2
SCHEMBL25875979 0.81 PDE2A (0.35) PDE2A
SCHEMBL24393156 0.78 PDE2A (0.62) PDE2AKMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL25876067 0.77 PDE1A (0.41) PDE2AKMT2APDE1APDE1BPDE1C
SCHEMBL25875898 0.73 MAPT (0.33) PDE2A
SCHEMBL2786539 0.72 PDE1A (0.42) PDE2AKMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL29175001 0.70 KDM4E (0.42) PDE2AKMT2APDE1C

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 PDE2A 1000/4885KMT2A 585/4885CYP1A2 3026/4885

“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.