SCHEMBL30004713

SCHEMBL30004713

CC(=O)c1ccc(-n2nnnc2C)nc1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNJ1 P48048 6/20 0.56
LMNA P02545 1/20 0.41
TSHR P16473 1/20 0.41
UBE2T Q9NPD8 1/20 0.40
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HRH3 Q9Y5N1 2/20 0.36
PTGS2 P35354 1/20 0.35
GRM1 Q13255 1/20 0.35
PPARG P37231 1/20 0.35
PPARA Q07869 1/20 0.35
ALDH1A1 P00352 1/20 0.35
RXRA P19793 1/20 0.34
GRIN1 Q05586 1/20 0.34
GRIN2B Q13224 1/20 0.34

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
SCHEMBL24724303 1.00 KCNJ1 (0.56) KCNJ1LMNATSHRUBE2TMAPT
SCHEMBL14167841 0.88 LMNA (0.46) KCNJ1LMNAMAPTPTGS2ALDH1A1
SCHEMBL12436082 0.78 LMNA (0.60) KCNJ1LMNATSHRMAPTPTGS2
SCHEMBL15116391 0.77 GRIN2D (0.41) LMNAMAPTSMN1; SMN2PTGS2ALDH1A1
SCHEMBL1164174 0.77 LMNA (0.43) LMNAMAPTSMN1; SMN2GRM1ALDH1A1
SCHEMBL5381709 0.76 ADRA1A (0.36) KCNJ1LMNAMAPTSMN1; SMN2ALDH1A1
SCHEMBL1163513 0.74 GRIN2D (0.39) LMNAUBE2TALDH1A1GRIN1GRIN2B
SCHEMBL24724311 0.73 KCNJ1 (0.52) KCNJ1LMNATSHRUBE2TMAPT
SCHEMBL24724302 0.73 OGA (0.39) KCNJ1LMNAALDH1A1
SCHEMBL30003905 0.73 KCNJ1 (0.52) KCNJ1LMNATSHRUBE2TMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240287070-A1 FUSED HETEROCYCLIC DERIVATIVES JOHNSON & JOHNSON (CHINA) INVESTMENT LTD. (CN) 2024-08-29 US disclosed
EP-4347590-A1 FUSED HETEROCYCLIC DERIVATIVES Janssen Sciences Ireland Unlimited Company (IE) 2024-04-10 EP disclosed
CN-117715909-A Condensed heterocyclic derivative 杨森科学爱尔兰无限公司 2024-03-15 CN disclosed
WO-2022253259-A1 FUSED HETEROCYCLIC DERIVATIVES Janssen Sciences Ireland Unlimited Company (IE) 2022-12-08 WO 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-20240287070-A1 FUSED HETEROCYCLIC DERIVATIVES HAVCR2, HCCS, GOT2 KCNJ1 4552/4885LMNA 723/4885TSHR 3584/4885

“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.