SCHEMBL21022998

SCHEMBL21022998

CC(C)(C)c1ccc2nc(CC(C)(C)c3ccc4nn[nH]c4c3)[nH]c2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE10A Q9Y233 1/20 0.46
▸ SCN10A Q9Y5Y9 12/20 0.46
▸ KCNH2 Q12809 1/20 0.46
▸ FGFR1 P11362 2/20 0.41
▸ FLT3 P36888 2/20 0.41
▸ CLK4 Q9HAZ1 2/20 0.41
▸ PLK4 O00444 1/20 0.41
▸ CHEK1 O14757 1/20 0.41
▸ AURKA O14965 1/20 0.41
▸ CHUK O15111 1/20 0.41
▸ PDPK1 O15530 1/20 0.41
▸ JAK2 O60674 1/20 0.41
▸ ROCK2 O75116 1/20 0.41
▸ MAP4K4 O95819 1/20 0.41
▸ PAK4 O96013 1/20 0.41
▸ CHEK2 O96017 1/20 0.41
▸ ABL1 P00519 1/20 0.41
▸ NTRK1 P04629 1/20 0.41
▸ PRKCG P05129 1/20 0.41
▸ INSR P06213 1/20 0.41

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
SCHEMBL10261363 0.81 SCN10A (0.47) SCN10AKCNH2FGFR1FLT3CLK4
SCHEMBL12190473 0.75 SCN10A (0.58) PDE10ASCN10AKCNH2FGFR1FLT3
SCHEMBL21650123 0.75 NPC1 (0.38) SCN10AKCNH2FGFR1FLT3CLK4
SCHEMBL23376988 0.75 PDE10A (0.60) PDE10ASCN10AKCNH2FGFR1FLT3
SCHEMBL15945343 0.74 SCN10A (0.62) PDE10ASCN10AKCNH2METAP2SCD
SCHEMBL20374955 0.73 SCN10A (0.35) SCN10AKCNH2
SCHEMBL23479213 0.71 PDE10A (0.46) PDE10ASCN10AKCNH2FGFR1FLT3
SCHEMBL20272841 0.71 SCN10A (0.34) PDE10ASCN10AKCNH2FGFR1FLT3
SCHEMBL23479517 0.69 PDE10A (0.43) PDE10ASCN10AKCNH2FGFR1FLT3
SCHEMBL762335 0.68 KIF11 (0.41) SCN10AKCNH2FGFR1FLT3CLK4

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-20190152963-A1 PYRAZOLE-OXAZOLIDINONE COMPOUND FOR ANTI-HEPATITIS B VIRUS SHANGHAI ZHIMENG BIOPHARMA, INC. (CN) 2019-05-23 — — 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-20190152963-A1 PYRAZOLE-OXAZOLIDINONE COMPOUND FOR ANTI-HEPATITIS B VIRUS HAVCR2, ZC3HAV1, ZC3HAV1L PDE10A 4375/4885SCN10A 3336/4885KCNH2 2566/4885

“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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