SCHEMBL24995481

SCHEMBL24995481

CC(C)(C)c1cnc2[nH]c(=O)n(C(C)(C)C)c2n1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.35
MTOR P42345 6/20 0.34
RICTOR Q6R327 1/20 0.32
RPTOR Q8N122 1/20 0.32
MAPKAP1 Q9BPZ7 1/20 0.32
MLST8 Q9BVC4 1/20 0.32
LMNA P02545 2/20 0.32
ALDH1A1 P00352 2/20 0.32
TP53 P04637 1/20 0.32
TSHR P16473 1/20 0.32
RAB9A P51151 1/20 0.32
HSD17B10 Q99714 1/20 0.32
PIK3CA P42336 1/20 0.32
GSK3A P49840 1/20 0.32
ADORA2A P29274 1/20 0.31
ADORA2B P29275 1/20 0.31
MAPT P10636 1/20 0.30
MAP3K11 Q16584 2/20 0.30
KDM4E B2RXH2 1/20 0.30
GLA P06280 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
SCHEMBL25950360 0.83 ADORA2B (0.41) CYP1A2MTORLMNAALDH1A1TSHR
SCHEMBL976246 0.81 ABL1 (0.35) CYP1A2MTORRICTORRPTORMAPKAP1
SCHEMBL24995677 0.79 MTOR (0.55) CYP1A2MTORRICTORRPTORMAPKAP1
SCHEMBL22761965 0.79 MTOR (0.38) CYP1A2MTORLMNATP53TSHR
SCHEMBL19286119 0.69 RPS6KA3 (0.38) ALDH1A1GSK3AKDM4EGAAHPGD
SCHEMBL22761956 0.69 GRIN1 (0.34)
SCHEMBL22761896 0.66 CDK9 (0.33)
SCHEMBL25823793 0.65 TNKS (0.36) CYP1A2LMNAALDH1A1TSHRHSD17B10
SCHEMBL26442880 0.65 NOS1 (0.37)
SCHEMBL22761935 0.65 CDK9 (0.33) LMNAALDH1A1TP53TSHRRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230043863-A1 HETEROAROMATIC DERIVATIVES FOR USE AS REGULATOR, PREPARATION METHOD THEREFOR AND USE THEREOF SHANGHAI HANSOH BIOMEDICAL CO., LTD. (CN) 2023-02-09 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-20230043863-A1 HETEROAROMATIC DERIVATIVES FOR USE AS REGULATOR, PREPARATION METHOD THEREFOR AND USE THEREOF WEE2, WEE1, RORB CYP1A2 442/4885MTOR 41/4885RICTOR 92/4885

“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.