SCHEMBL30003905

SCHEMBL30003905

CC(=O)c1ccc(-n2nnc(C)n2)nc1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNJ1 P48048 6/20 0.52
HRH3 Q9Y5N1 2/20 0.38
TSHR P16473 1/20 0.38
LMNA P02545 3/20 0.38
MAPT P10636 2/20 0.38
PPARG P37231 1/20 0.37
PPARA Q07869 1/20 0.37
UBE2T Q9NPD8 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
RXRA P19793 1/20 0.34
GRIN1 Q05586 1/20 0.34
GRIN2B Q13224 1/20 0.34
KMT2A Q03164 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
SCHEMBL24724311 1.00 KCNJ1 (0.52) KCNJ1HRH3TSHRLMNAMAPT
SCHEMBL24775079 0.78 TSHR (0.49) KCNJ1TSHRMAPTKMT2A
SCHEMBL9108667 0.77 MAPT (0.39) KCNJ1MAPTSMN1; SMN2KMT2A
SCHEMBL15653751 0.76 KCNJ1 (0.55) KCNJ1HRH3TSHRLMNAMAPT
SCHEMBL30751818 0.74 KCNJ1 (0.48) KCNJ1KMT2A
SCHEMBL24668346 0.74 MAPT (0.64) KCNJ1HRH3LMNAMAPTUBE2T
SCHEMBL24724304 0.73 OGA (0.39) KCNJ1LMNASMN1; SMN2
SCHEMBL24724303 0.73 KCNJ1 (0.56) KCNJ1HRH3TSHRLMNAMAPT
SCHEMBL30004713 0.73 KCNJ1 (0.56) KCNJ1HRH3TSHRLMNAMAPT
SCHEMBL3595779 0.72 KCNJ1 (0.55) KCNJ1HRH3TSHRLMNAMAPT

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 4552/4885HRH3 1653/4885TSHR 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.