Sugi Predict

Sugi Predict / Compounds / SCHEMBL4325441

SCHEMBL4325441

SCHEMBL4325441

O=C(NC(c1ccccc1)C(F)F)c1nc(-c2cccc(Cl)c2)n2ccccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MDM2 Q00987 3/20 0.40
▸ CSNK2A2 P19784 1/20 0.40
▸ CSNK2B P67870 1/20 0.40
▸ CSNK2A1 P68400 1/20 0.40
▸ L3MBTL1 Q9Y468 3/20 0.39
▸ POLB P06746 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ HAT1 O14929 2/20 0.38
▸ EP300 Q09472 2/20 0.38
▸ CASP3 P42574 1/20 0.38
▸ SENP8 Q96LD8 1/20 0.38
▸ SENP7 Q9BQF6 1/20 0.38
▸ SENP6 Q9GZR1 1/20 0.38
▸ PHGDH O43175 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ CNR2 P34972 2/20 0.37

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
SCHEMBL4341140 0.91 KCNA5 (0.38) MDM2CSNK2A2CSNK2BCSNK2A1L3MBTL1
SCHEMBL4324710 0.85 CNR2 (0.45) MDM2CSNK2A2CSNK2BCSNK2A1L3MBTL1
SCHEMBL4322739 0.85 CNR2 (0.40) L3MBTL1POLBHPGDMAPK1SMN1; SMN2
SCHEMBL4325237 0.80 CNR2 (0.54) MDM2CSNK2A2CSNK2BCSNK2A1L3MBTL1
SCHEMBL4323158 0.80 CNR2 (0.61) MDM2CSNK2A2CSNK2BCSNK2A1L3MBTL1
SCHEMBL4318945 0.79 CNR2 (0.45) L3MBTL1CASP3SENP8SENP7SENP6
SCHEMBL4325290 0.79 PTGFR (0.42) MDM2CSNK2A2CSNK2BCSNK2A1L3MBTL1
SCHEMBL4331152 0.78 PTGER4 (0.50) L3MBTL1MAPK1SMN1; SMN2CASP3SENP8
SCHEMBL4340037 0.77 CNR2 (0.59) L3MBTL1POLBHPGDMAPK1SMN1; SMN2
SCHEMBL4332820 0.77 CNR2 (0.45) MDM2POLBGAACNR2

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-20090325936-A1 IMIDAZOPYRIDINE ANALOGS AS CB2 RECEPTOR MODULATORS, USEFUL IN THE TREATMENT OF PAIN, RESPIRATORY AND NON-RESPIRATORY DISEASES MERCK & CO., INC. 2009-12-31 — — US disclosed
US-20090325936-A1 IMIDAZOPYRIDINE ANALOGS AS CB2 RECEPTOR MODULATORS, USEFUL IN THE TREATMENT OF PAIN, RESPIRATORY AND NON-RESPIRATORY DISEASES MERCK & CO., INC. 2009-12-31 — — US disclosed
US-20090325936-A1 IMIDAZOPYRIDINE ANALOGS AS CB2 RECEPTOR MODULATORS, USEFUL IN THE TREATMENT OF PAIN, RESPIRATORY AND NON-RESPIRATORY DISEASES MERCK & CO., INC. 2009-12-31 — — US disclosed
WO-2008085302-A1 IMIDAZOPYRIDINE ANALOGS AS CB2 RECEPTOR MODULATORS, USEFUL IN THE TREATMENT OF PAIN, RESPIRATORY AND NON-RESPIRATORY DISEASES MERCK & CO., INC. (US) 2008-07-17 — — 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-20090325936-A1 IMIDAZOPYRIDINE ANALOGS AS CB2 RECEPTOR MODULATORS, USEFUL IN THE TREATMENT OF PAIN, RESPIRATORY AND NON-RESPIRATORY DISEASES CNR2, CNR1, TRPV1 MDM2 4200/4885CSNK2A2 377/4885CSNK2B 322/4885

“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.