SCHEMBL22758299

SCHEMBL22758299

COc1ccc2c(C3CC3)c(N)cnc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.40
GABRG2 P18507 2/20 0.40
GABRB3 P28472 2/20 0.40
GABRA5 P31644 2/20 0.40
GABRA3 P34903 2/20 0.40
GABRA6 Q16445 2/20 0.40
MPO P05164 1/20 0.40
ACHE P22303 1/20 0.40
HTR1A P08908 2/20 0.40
ADRA1D P25100 2/20 0.40
ADRA1A P35348 2/20 0.40
ADRA1B P35368 2/20 0.40
FERMT2 Q96AC1 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP3A4 P08684 1/20 0.39
GABRA2 P47869 1/20 0.39
HPGDS O60760 4/20 0.39
MAPK7 Q13164 2/20 0.39
NPSR1 Q6W5P4 1/20 0.38
EGFR P00533 3/20 0.38

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
SCHEMBL22758177 0.89 MALT1 (0.45) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL22758305 0.82 GABRA1 (0.40) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL22758298 0.78 NR4A2 (0.50) ACHEALDH1A1CYP3A4
Hydrochloric Acid SCHEMBL29531928 0.77 PIM2 (0.35) HPGDSMAPK7
SCHEMBL6473683 0.76 HPGDS (0.44) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL29392911 0.76 GABRA1 (0.44) GABRA1GABRG2GABRB3GABRA5GABRA3
Hydrochloric Acid SCHEMBL5767708 0.76 ALDH1A1 (0.50) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL20495237 0.76 GABRA1 (0.44) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL22758297 0.73 NCF1 (0.44) ACHEADRA1AALDH1A1
SCHEMBL9106869 0.73 ACHE (0.54) MPOACHEALDH1A1NPSR1

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-11248007-B2 Inhibitors of MALT1 and uses thereof CORNELL UNIVERSITY (US) 2022-02-15 US disclosed
US-20200385405-A1 INHIBITORS OF MALT1 AND USES THEREOF CORNELL UNIVERSITY (US) 2020-12-10 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 (2 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-20200385405-A1 INHIBITORS OF MALT1 AND USES THEREOF MALT1, BCL6, BCL3 GABRA1 1105/4885GABRG2 666/4885GABRB3 1037/4885
US-11248007-B2 Inhibitors of MALT1 and uses thereof MALT1, BCL6, BCL3 GABRA1 1105/4885GABRG2 666/4885GABRB3 1037/4885

“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.