SCHEMBL25825932

SCHEMBL25825932

Cc1cc(NC(C)C)cc(N)n1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 7/20 0.54
NOS3 P29474 6/20 0.54
NOS1 P29475 5/20 0.54
HRH4 Q9H3N8 4/20 0.37
TDP1 Q9NUW8 1/20 0.35
NR4A2 P43354 1/20 0.35
TRPM8 Q7Z2W7 1/20 0.34
LMNA P02545 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C19 P33261 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
ALDH1A1 P00352 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ELANE P08246 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
SCHEMBL12810690 0.85 TDP1 (0.42) NOS2NOS3NOS1TDP1NR4A2
SCHEMBL23999695 0.77 NOS3 (0.54) NOS2NOS3NOS1CYP1A2CYP2C19
SCHEMBL12411157 0.76 HRH4 (0.51) NOS2NOS3NOS1HRH4TDP1
SCHEMBL31324837 0.71
SCHEMBL94111 0.71
SCHEMBL1425069 0.71 ALOX15 (0.38) TDP1LMNAALDH1A1
SCHEMBL10024341 0.69 TDP1 (0.55) TDP1TRPM8LMNANPSR1ALDH1A1
SCHEMBL21227309 0.69 CRHBP (0.50) HRH4TDP1LMNACYP1A2CYP2C19
Bromide SCHEMBL5755666 0.69 NOS2 (0.95) NOS2NOS3NOS1
SCHEMBL10204248 0.68 NOS2 (0.54) NOS2NOS3NOS1ALDH1A1

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-20230219927-A1 AKT3 MODULATORS Georgiamune Inc. 2023-07-13 US disclosed
US-20230183226-A1 AKT3 MODULATORS Georgiamune Inc. 2023-06-15 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-20230183226-A1 AKT3 MODULATORS AKT3, AKT2, MTOR NOS2 3170/4885NOS3 612/4885NOS1 3493/4885
US-20230219927-A1 AKT3 MODULATORS AKT3, AKT2, PIK3CA NOS2 3467/4885NOS3 817/4885NOS1 3333/4885

“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.