SCHEMBL31245693

SCHEMBL31245693

COc1ccc(CN(C)c2cc(Nc3cccc4c3OCCC4)nn3c(C(=O)O)cnc23)cc1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 3/20 0.39
▸ PDE4D Q08499 2/20 0.39
▸ STAT3 P40763 1/20 0.36
▸ RXRA P19793 1/20 0.35
▸ RXRB P28702 1/20 0.35
▸ RXRG P48443 1/20 0.35
▸ KDM4C Q9H3R0 2/20 0.35
▸ KDM6B O15054 1/20 0.35
▸ TAS2R14 Q9NYV8 1/20 0.34
▸ MAP4K1 Q92918 1/20 0.34
▸ KIF18A Q8NI77 1/20 0.32
▸ ACKR3 P25106 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ PTPN1 P18031 1/20 0.32

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
SCHEMBL31245689 0.92 TYK2 (0.38) TYK2PDE4DSTAT3MAP4K1ACKR3
SCHEMBL24263403 0.82 TYK2 (0.48) TYK2PDE4DTAS2R14HTT
SCHEMBL20504588 0.81 TYK2 (0.39) TYK2PDE4D
SCHEMBL16794686 0.80 TYK2 (0.47) TYK2PDE4D
SCHEMBL22092672 0.79 TYK2 (0.47) TYK2STAT3KDM4CKDM6BHTT
SCHEMBL30392519 0.79 TYK2 (0.34) TYK2PDE4D
SCHEMBL26098936 0.79 TYK2 (0.34) TYK2PDE4D
Potassium SCHEMBL30392983 0.79 TYK2 (0.33) TYK2PDE4D
SCHEMBL26097378 0.79 TYK2 (0.33) TYK2PDE4D
SCHEMBL29754423 0.79 TYK2 (0.59) TYK2PDE4DSTAT3

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-20240335443-A1 IMIDAZOLOPYRIDAZINE OR PYRAZOLOPYRIMIDINE COMPOUNDS AND COMPOSITIONS ANRUI BIOMEDICAL TECHNOLOGY (GUANGZHOU) CO., LTD. (CN) 2024-10-10 — — 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-20240335443-A1 IMIDAZOLOPYRIDAZINE OR PYRAZOLOPYRIMIDINE COMPOUNDS AND COMPOSITIONS TYK2, PTK2B, JAK1 TYK2 1/4885PDE4D 1446/4885STAT3 768/4885

“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.

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