SCHEMBL12273608

SCHEMBL12273608

CN(C)c1ccc2c(c1)SC1=C(N2)C(F)=CC(=O)C1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.34
▸ PIM1 P11309 1/20 0.32
▸ PIM2 Q9P1W9 1/20 0.32
▸ PDGFRB P09619 1/20 0.32
▸ NOX1 Q9Y5S8 1/20 0.31
▸ GSK3B P49841 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.30

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
SCHEMBL12272985 0.85 AR (0.33) MAPTPIM1PIM2
SCHEMBL3112042 0.76 MAPT (0.36) MAPTPIM1PIM2NOX1GSK3B
SCHEMBL10590860 0.70 EPHX2 (0.47) MAPTNOX1MEN1MAPK1KMT2A
Hydromethylthionine SCHEMBL12592446 0.70 SNCA (0.50) MAPTNOX1MEN1MAPK1KMT2A
Hydromethylthionine SCHEMBL109756 0.70 SNCA (0.50) MAPTNOX1MEN1MAPK1KMT2A
Hydromethylthionine SCHEMBL29356148 0.70 SNCA (0.50) MAPTNOX1MEN1MAPK1KMT2A
SCHEMBL12273200 0.69 IDH1 (0.31) —
Hydromethylthionine SCHEMBL25199191 0.69 SNCA (0.48) MAPTNOX1MEN1MAPK1KMT2A
Hydromethylthionine SCHEMBL25194477 0.69 SNCA (0.48) MAPTNOX1MEN1MAPK1KMT2A
Hydromethylthionine SCHEMBL12470963 0.69 SNCA (0.48) MAPTNOX1MEN1MAPK1KMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8759336-B2 Antiviral compounds PROSETTA ANTIVIRAL INC. (US) 2014-06-24 — — US claimed
US-8759336-B2 Antiviral compounds PROSETTA ANTIVIRAL INC. (US) 2014-06-24 — — US disclosed
US-20120238543-A1 Antiviral Compounds Prosetta Antiviral, Inc. (US) 2012-09-20 — — 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-20120238543-A1 Antiviral Compounds MAVS, EIF2AK2, IRF3 MAPT 1842/4885PIM1 80/4885PIM2 152/4885

“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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