SCHEMBL31245689

SCHEMBL31245689

CCOC(=O)c1cnc2c(N(C)Cc3ccc(OC)cc3)cc(Nc3cccc4c3OCCC4)nn12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 3/20 0.38
▸ PDE4D Q08499 2/20 0.38
▸ ADORA3 P0DMS8 1/20 0.35
▸ ADORA2A P29274 1/20 0.35
▸ ADORA2B P29275 1/20 0.35
▸ ADORA1 P30542 1/20 0.35
▸ STAT3 P40763 1/20 0.35
▸ ACKR3 P25106 1/20 0.34
▸ CDK2 P24941 1/20 0.34
▸ CDK9 P50750 1/20 0.34
▸ CTSL P07711 1/20 0.33
▸ CTSB P07858 1/20 0.33
▸ MAPT P10636 3/20 0.33
▸ FAAH O00519 1/20 0.33
▸ MAP4K1 Q92918 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ NPSR1 Q6W5P4 2/20 0.32
▸ ALDH1A1 P00352 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
SCHEMBL31245693 0.92 TYK2 (0.39) TYK2PDE4DSTAT3ACKR3MAP4K1
SCHEMBL24263379 0.84 TYK2 (0.46) TYK2PDE4DADORA3ADORA2AADORA2B
SCHEMBL20504574 0.82 IDO1 (0.37) TYK2PDE4DADORA3ADORA2AADORA2B
SCHEMBL16794637 0.82 TYK2 (0.45) TYK2PDE4DADORA3ADORA2AADORA2B
SCHEMBL30392554 0.81 FAAH (0.33) TYK2PDE4DADORA3ADORA2AADORA2B
SCHEMBL26100863 0.81 FAAH (0.33) TYK2PDE4DADORA3ADORA2AADORA2B
SCHEMBL20557221 0.81 MAPT (0.39) ADORA3ADORA2AADORA2BADORA1MAPT
SCHEMBL20557551 0.81 TYK2 (0.45) TYK2PDE4DADORA3ADORA2AADORA2B
SCHEMBL22092677 0.81 TYK2 (0.44) TYK2ADORA3ADORA2AADORA2BADORA1
SCHEMBL24263290 0.80 GAA (0.37) TYK2PDE4DADORA3ADORA2AADORA2B

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 1446/4885ADORA3 4266/4885

“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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