SCHEMBL25935700

SCHEMBL25935700

CNc1cc(-c2cncc(NCC3=CCCC=C3)c2)ccn1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PIK3C3 Q8NEB9 13/20 0.37
▸ MAPT P10636 4/20 0.34
▸ FYN P06241 1/20 0.34
▸ GSK3B P49841 3/20 0.34
▸ TLR9 Q9NR96 1/20 0.33
▸ TLR8 Q9NR97 1/20 0.33
▸ TLR7 Q9NYK1 1/20 0.33
▸ PRKCA P17252 1/20 0.33
▸ PRKCD Q05655 1/20 0.33
▸ PRKD1 Q15139 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
SCHEMBL25935625 0.87 INPPL1 (0.39) MAPTFYNGSK3B
SCHEMBL24137484 0.78 PIK3C3 (0.48) PIK3C3FYN
SCHEMBL30596228 0.78 PIK3C3 (0.48) PIK3C3FYN
SCHEMBL25935552 0.76 PIK3C3 (0.40) PIK3C3GSK3B
SCHEMBL25934164 0.75 FYN (0.45) PIK3C3MAPTFYN
SCHEMBL25934943 0.73 MAP4K4 (0.33) FYN
SCHEMBL26701792 0.69 KDM4E (0.38) MAPT
SCHEMBL26699067 0.65 SMN1; SMN2 (0.36) —
SCHEMBL4928863 0.64 POLB (0.49) PIK3C3FYN
SCHEMBL17643848 0.64 MAPT (0.51) MAPTPRKCAPRKCDPRKD1

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-20230234935-A1 KINASE INHIBITOR COMPOUNDS AND COMPOSITIONS AND METHODS OF USE ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI 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-20230234935-A1 KINASE INHIBITOR COMPOUNDS AND COMPOSITIONS AND METHODS OF USE PACSIN2, MAP3K20, PHKG1 PIK3C3 514/4885MAPT 1315/4885FYN 399/4885

“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.

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