Sugi Predict

Sugi Predict / Compounds / SCHEMBL4834205

SCHEMBL4834205

SCHEMBL4834205

O=c1[nH]cnc2c(I)c(-c3ccccc3Cl)nn12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ XDH P47989 1/20 0.43
▸ CCNE2 O96020 1/20 0.40
▸ CCNE1 P24864 1/20 0.40
▸ CDK2 P24941 1/20 0.40
▸ MAPK14 Q16539 5/20 0.37
▸ MAPK13 O15264 3/20 0.37
▸ MAPK12 P53778 3/20 0.37
▸ MAPK11 Q15759 3/20 0.37
▸ KDM5B Q9UGL1 2/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ ADORA3 P0DMS8 1/20 0.34
▸ ADORA2A P29274 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ POLB P06746 1/20 0.34
▸ RXFP1 Q9HBX9 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.33
▸ DCUN1D1 Q96GG9 1/20 0.33
▸ APOBEC3G Q9HC16 1/20 0.33
▸ TDP1 Q9NUW8 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
SCHEMBL4836399 0.81 CNR1 (0.38) XDHCCNE2CCNE1CDK2MAPK14
SCHEMBL4843180 0.78 XDH (0.47) XDHMAPK14MAPK13MAPK12MAPK11
SCHEMBL5375243 0.75 DPP4 (0.37) XDHCCNE2CCNE1CDK2ALDH1A1
SCHEMBL4837313 0.70 KDM5B (0.44) CCNE2CCNE1CDK2MAPK14KDM5B
SCHEMBL4833434 0.69 CNR1 (0.43) XDHMAPK14MAPK13MAPK12MAPK11
SCHEMBL4840877 0.68 KMT2A (0.37) KMT2AALDH1A1
SCHEMBL14577428 0.67 GPR119 (0.35) MAPK14MAPK13MAPK12MAPK11KMT2A
SCHEMBL5386879 0.67 ALDH1A1 (0.46) MEN1KMT2AALDH1A1POLBKDM4E
SCHEMBL8105110 0.64 ALDH1A1 (0.50) MAPK14MAPK13MAPK12MAPK11KMT2A
SCHEMBL4837574 0.64 CNR1 (0.50) XDHMAPK14MAPK13MAPK12MAPK11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7329658-B2 Cannabinoid receptor ligands and uses thereof PFIZER INC (US) 2008-02-12 — — US disclosed
US-7329658-B2 Cannabinoid receptor ligands and uses thereof PFIZER INC (US) 2008-02-12 — — US disclosed
US-7329658-B2 Cannabinoid receptor ligands and uses thereof PFIZER INC (US) 2008-02-12 — — US disclosed
WO-2005049615-A1 PYRAZOLO`1,5-A!`1,3,5! TRIAZIN -4-ONE DERIVATIVES AS CB1 RECEPTOR ANTAGONISTS PFIZER PRODUCTS INC. (US) 2005-06-02 — — WO disclosed
US-20040157839-A1 Cannabinoid receptor ligands and uses thereof PFIZER INC 2004-08-12 — — US disclosed
US-20040157839-A1 Cannabinoid receptor ligands and uses thereof PFIZER INC 2004-08-12 — — US disclosed
US-20040157839-A1 Cannabinoid receptor ligands and uses thereof PFIZER INC 2004-08-12 — — 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-20040157839-A1 Cannabinoid receptor ligands and uses thereof CNR1, CNR2, GPR18 XDH 2291/4885CCNE2 3669/4885CCNE1 3466/4885

“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.