SCHEMBL25533401

SCHEMBL25533401

CC(C)(C)CNc1cnc[nH]1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 11/20 0.38
HRH4 Q9H3N8 5/20 0.38
ALDH1A1 P00352 2/20 0.37
FKBP5 Q13451 1/20 0.37
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
NUDT1 P36639 2/20 0.36
ADRA1A P35348 1/20 0.33
ADRA2C P18825 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
SCHEMBL5490122 0.77
Hydrochloric Acid SCHEMBL27906387 0.67
SCHEMBL22764070 0.65 ADRA1A (0.35) HRH3HRH4ALDH1A1FKBP5KMT2A
SCHEMBL27494523 0.64
SCHEMBL19935942 0.64 JAK2 (0.33) NUDT1
SCHEMBL502104 0.64 PKM (0.52) HRH3HRH4ALDH1A1MEN1MAPT
SCHEMBL26800848 0.64
SCHEMBL23943143 0.63 NUDT1 (0.35) NUDT1
SCHEMBL26812529 0.63 HRH4 (0.42) HRH3HRH4ALDH1A1FKBP5MEN1
SCHEMBL17700061 0.62 CDK2 (0.43) HRH3HRH4NUDT1

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-20230146455-A1 TREATMENT OF INFLAMMATORY DISEASES WITH PEPTIDES AND PHARMACEUTICAL COMPOSITIONS YUYU PHARMA, INC. (KR) 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-20230146455-A1 TREATMENT OF INFLAMMATORY DISEASES WITH PEPTIDES AND PHARMACEUTICAL COMPOSITIONS VIP, TSLP, IAPP HRH3 1226/4885HRH4 747/4885ALDH1A1 4523/4885

“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.