SCHEMBL31270297

SCHEMBL31270297

Nc1ccnc2cc(CC(F)(F)F)sc12

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.37
GRIN3B O60391 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2C Q14957 1/20 0.33
NR4A2 P43354 2/20 0.33
SOS2 Q07890 1/20 0.33
NCF1 P14598 1/20 0.33
NOS3 P29474 1/20 0.32
NOS2 P35228 1/20 0.32
FBP1 P09467 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
SCHEMBL31745069 0.76 NOS3 (0.38) GRIN3BGRIN1GRIN2CNR4A2SOS2
SCHEMBL31269801 0.75 ROCK1 (0.34) NCF1NOS3NOS2FBP1
SCHEMBL29564856 0.72 NCF1 (0.41) MEN1NR4A2SOS2NCF1NOS3
Trifluoroacetic Acid SCHEMBL31745042 0.72 HTT (0.36) GRIN3BGRIN1GRIN2C
SCHEMBL31745001 0.72 NCF1 (0.37) NR4A2SOS2NCF1
SCHEMBL30317201 0.72 NCF1 (0.37) NR4A2NCF1FBP1
SCHEMBL30317218 0.72 NCF1 (0.37) MEN1NR4A2NCF1
SCHEMBL30317422 0.72 NR4A2 (0.33) NR4A2SOS2NCF1
Hydrochloric Acid SCHEMBL29565618 0.71 NCF1 (0.39) NR4A2SOS2NCF1
Hydrochloric Acid SCHEMBL22346307 0.71 NCF1 (0.36) NR4A2NCF1FBP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240400591-A1 COMPOUNDS TARGETING MUTANT OF P53 JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2024-12-05 US claimed
US-20240400591-A1 COMPOUNDS TARGETING MUTANT OF P53 JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2024-12-05 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-20240400591-A1 COMPOUNDS TARGETING MUTANT OF P53 TP53, TP53BP1, MDM2 MEN1 3802/4885GRIN3B 3851/4885GRIN1 3786/4885

“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.