Sugi Predict

Sugi Predict / Compounds / SCHEMBL4841263

SCHEMBL4841263

SCHEMBL4841263

C=C(OCC)c1nc(C)nc2c(-c3ccc(Cl)cc3)c(-c3ccccc3Cl)nn12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ CNR1 P21554 3/20 0.37
▸ CNR2 P34972 3/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ HPGD P15428 2/20 0.37
▸ TP53 P04637 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ CDC7 O00311 1/20 0.35
▸ DBF4 Q9UBU7 1/20 0.35
▸ CRHR1 P34998 2/20 0.35
▸ PTGS1 P23219 1/20 0.34
▸ PTGS2 P35354 1/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ CCNA2 P20248 1/20 0.34
▸ CDK2 P24941 1/20 0.34
▸ GPR119 Q8TDV5 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
SCHEMBL4840644 0.83 CNR1 (0.40) KDM4ETDP1L3MBTL1CNR1CNR2
SCHEMBL8261401 0.80 CNR1 (0.45) KDM4ECNR1CNR2ALDH1A1TP53
SCHEMBL4832926 0.80 CNR1 (0.45) KDM4ECNR1CNR2ALDH1A1HPGD
SCHEMBL4833246 0.79 CNR1 (0.39) KDM4ETDP1L3MBTL1CNR1CNR2
SCHEMBL4840591 0.78 CRHR1 (0.39) TDP1CNR1CNR2TP53CRHR1
SCHEMBL4840849 0.76 CNR1 (0.40) L3MBTL1CNR1CNR2ALDH1A1TP53
SCHEMBL5607652 0.76 CNR1 (0.40) CNR1CNR2ALDH1A1TP53MAPT
SCHEMBL8444084 0.75 CNR2 (0.35) CNR1CNR2ALDH1A1TP53MAPT
SCHEMBL4834043 0.74 CRHR1 (0.43) CNR1CNR2HPGDMAPTCRHR1
SCHEMBL5375193 0.74 TP53 (0.43) KDM4ECNR1CNR2ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040157839-A1 Cannabinoid receptor ligands and uses thereof PFIZER INC 2004-08-12 — — US claimed
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
EP-1592691-A1 PYRAZOLO[1,5-A][1,3,5]TRIAZINE DERIVATIVES AS CANNABINOID RECEPTOR LIGANDS Pfizer Products Inc. (US) 2005-11-09 — — EP disclosed
WO-2004069837-A1 PYRAZOLO`1,5-A!`1,3,5!TRIAZINE DERIVATIVES AS CANNABINOID RECEPTOR LIGANDS PFIZER PRODUCTS INC. (US) 2004-08-19 — — 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 KDM4E 3361/4885TDP1 4721/4885L3MBTL1 3865/4885

“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.