SCHEMBL4333103

SCHEMBL4333103

COC(=O)c1nc(-c2cncnc2)n2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 9/20 0.48
▸ KDM4E B2RXH2 9/20 0.48
▸ MAPT P10636 7/20 0.47
▸ GAA P10253 2/20 0.47
▸ L3MBTL1 Q9Y468 3/20 0.43
▸ SMN1; SMN2 Q16637 3/20 0.43
▸ HPGD P15428 3/20 0.43
▸ MAPK1 P28482 2/20 0.43
▸ POLB P06746 1/20 0.43
▸ DAPK3 O43293 1/20 0.42
▸ JAK2 O60674 1/20 0.42
▸ PRKD3 O94806 1/20 0.42
▸ MAP4K4 O95819 1/20 0.42
▸ ABL1 P00519 1/20 0.42
▸ CSF1R P07333 1/20 0.42
▸ RET P07949 1/20 0.42
▸ MET P08581 1/20 0.42
▸ PDGFRA P16234 1/20 0.42
▸ PRKACA P17612 1/20 0.42
▸ LTK P29376 1/20 0.42

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
SCHEMBL4323463 0.84 KDM4E (0.58) ALDH1A1KDM4EMAPTGAAL3MBTL1
SCHEMBL2743133 0.76 KDM4E (0.54) ALDH1A1KDM4EMAPTGAASMN1; SMN2
SCHEMBL4318776 0.74 KDM4E (0.51) ALDH1A1KDM4EMAPTGAAL3MBTL1
SCHEMBL17438086 0.74 HTR4 (0.56) ALDH1A1KDM4E
SCHEMBL19902679 0.74 KDM4E (0.51) ALDH1A1KDM4EMAPTGAAHPGD
SCHEMBL17438046 0.73 KDM4E (0.50) ALDH1A1KDM4EMAPTGAASMN1; SMN2
SCHEMBL19127956 0.73 KDM4E (0.53) ALDH1A1KDM4EMAPTGAASMN1; SMN2
SCHEMBL4497415 0.72 L3MBTL1 (0.60) ALDH1A1KDM4EMAPTGAAL3MBTL1
SCHEMBL4321377 0.70 CNR2 (0.45) ALDH1A1KDM4EMAPT
SCHEMBL11910985 0.70 ALDH1A1 (0.41) ALDH1A1KDM4EMAPTGAAL3MBTL1

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 ALDH1A1 2838/4885KDM4E 2430/4885MAPT 4674/4885

“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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