SCHEMBL25449341

SCHEMBL25449341

CC(C)(C)c1cnc2nc(N)ccc2n1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 5/20 0.38
NCK1 P16333 1/20 0.38
NOS2 P35228 3/20 0.35
NOS3 P29474 2/20 0.35
KDM4E B2RXH2 3/20 0.33
ALDH1A1 P00352 1/20 0.33
KMT2A Q03164 1/20 0.33
HSD17B10 Q99714 1/20 0.33
PLAU P00749 1/20 0.32
NCF1 P14598 2/20 0.32
NOS1 P29475 1/20 0.31

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
SCHEMBL24506894 0.86 BACE1 (0.38) BACE1NCK1NOS2NOS3KDM4E
SCHEMBL4045372 0.77 PLAU (0.43) BACE1NCK1NOS2PLAUNCF1
SCHEMBL25449339 0.76 ALDH1A1 (0.35) ALDH1A1HSD17B10
SCHEMBL25106981 0.76 BACE1 (0.41) BACE1NCK1NOS2NOS3KDM4E
SCHEMBL25449327 0.73 ALDH1A1 (0.38) KDM4EALDH1A1
SCHEMBL26795843 0.71
SCHEMBL1551266 0.71 TLR9 (0.42) KDM4EALDH1A1KMT2AHSD17B10PLAU
SCHEMBL27152551 0.70
SCHEMBL22521384 0.69 KDM4E (0.43) BACE1NCK1NOS2NOS3KDM4E
SCHEMBL25449340 0.69 NOS3 (0.36) NOS2NOS3KDM4EHSD17B10NOS1

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-20230143059-A1 GCN2 MODULATOR COMPOUNDS Alesta Therapeutics BV (NL) 2023-05-11 US disclosed
US-20230143059-A1 GCN2 MODULATOR COMPOUNDS Alesta Therapeutics BV (NL) 2023-05-11 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-20230143059-A1 GCN2 MODULATOR COMPOUNDS EIF2AK4, GPR119, GCN1 BACE1 4154/4885NCK1 1666/4885NOS2 2764/4885

“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.