SCHEMBL25876313

SCHEMBL25876313

Cc1nc(Cl)nc2c1cnn2CC(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 1/20 0.43
CYP1A2 P05177 1/20 0.43
PLK4 O00444 1/20 0.41
PDE2A O00408 10/20 0.38
CNR2 P34972 1/20 0.34
PIK3CA P42336 4/20 0.34
MTOR P42345 4/20 0.34
CNR1 P21554 1/20 0.32
P2RX7 Q99572 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL23579830 0.84 HSP90AA1 (0.40) CYP17A1CYP1A2PLK4PDE2ACNR2
SCHEMBL25876223 0.81 PDE2A (0.40) CYP1A2PDE2A
SCHEMBL25875949 0.81 ADORA3 (0.42) CYP1A2PDE2AALDH1A1LMNASMN1; SMN2
SCHEMBL19838242 0.79 PDE2A (0.45) CYP17A1CYP1A2PLK4PDE2APIK3CA
SCHEMBL25875979 0.79 PDE2A (0.35) PDE2A
SCHEMBL25876283 0.78 PDE1A (0.44) PDE2AALDH1A1SMN1; SMN2
SCHEMBL25876067 0.75 PDE1A (0.41) PDE2AALDH1A1
SCHEMBL60944 0.74 JAK1 (0.37) PDE2APIK3CAMTOR
SCHEMBL3989353 0.73 MTOR (0.55) CNR2PIK3CAMTORHTTSMN1; SMN2
SCHEMBL24393156 0.72 PDE2A (0.62) CYP1A2PDE2AALDH1A1

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 CYP17A1 1655/4885CYP1A2 3026/4885PLK4 1763/4885

“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.