SCHEMBL25875821

SCHEMBL25875821

Cn1ncc2c(C(C)(C)C)nc(C(C)(C)C)nc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 3/20 0.39
KMT2A Q03164 4/20 0.37
MEN1 O00255 2/20 0.37
PI4KA P42356 1/20 0.36
PI4K2B Q8TCG2 1/20 0.36
PI4K2A Q9BTU6 1/20 0.36
PI4KB Q9UBF8 1/20 0.36
ALDH1A1 P00352 4/20 0.34
HRH1 P35367 1/20 0.34
HRH4 Q9H3N8 1/20 0.34
ALDH1A2 O94788 1/20 0.34
ALDH1A3 P47895 1/20 0.34
CNR2 P34972 4/20 0.33
KDM4E B2RXH2 2/20 0.33
MAPT P10636 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
MAPK1 P28482 1/20 0.33
BCDIN3D Q7Z5W3 2/20 0.33
F7 P08709 1/20 0.33
F3 P13726 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
SCHEMBL26817446 0.82 PDE2A (0.42) PDE2AKMT2AMEN1PI4KAPI4K2B
SCHEMBL20276307 0.73 PI4KA (0.58) KMT2AMEN1PI4KAPI4K2BPI4K2A
SCHEMBL26322970 0.71 HRH4 (0.34) HRH4
SCHEMBL21419275 0.70 PI4KA (0.34) PDE2AKMT2AMEN1PI4KAPI4K2B
SCHEMBL26780060 0.70 ATM (0.31)
SCHEMBL24654997 0.69 KMT2A (0.41) PDE2AKMT2AMEN1PI4KAPI4K2B
SCHEMBL25746210 0.67 PDE2A (0.48) PDE2AKMT2AMEN1BCDIN3DHTR2C
SCHEMBL23264168 0.67 CYP1A2 (0.38) KMT2AMEN1ALDH1A1CNR2MAPK1
SCHEMBL29324081 0.67 ADORA2A (0.32) KDM4E
SCHEMBL20240245 0.66 PDE2A (0.47) PDE2AKMT2AALDH1A1KDM4EMAPT

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 585/4885MEN1 614/4885

“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.