SCHEMBL14151950

SCHEMBL14151950

CC(C)CSc1nc(C(=O)O)ccc1Br

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 3/20 0.40
▸ KDM4E B2RXH2 5/20 0.35
▸ TDP1 Q9NUW8 2/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ ACMSD Q8TDX5 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.34
▸ L3MBTL1 Q9Y468 2/20 0.34
▸ MGAM O43451 1/20 0.33
▸ CDK1 P06493 1/20 0.33
▸ CDK2 P24941 1/20 0.33
▸ KDR P35968 1/20 0.33
▸ XDH P47989 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ MTNR1A P48039 3/20 0.32
▸ MTNR1B P49286 3/20 0.32
▸ RAB9A P51151 2/20 0.31
▸ MAPT P10636 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL14151479 0.84 CNR2 (0.40) CNR2ALOX15ALDH1A1L3MBTL1MGAM
SCHEMBL15774803 0.80 KDM4E (0.38) KDM4ETDP1ALOX15TSHRACMSD
SCHEMBL14151962 0.77 CNR2 (0.64) CNR2KDM4ETDP1ALOX15TSHR
SCHEMBL14152688 0.73 CNR2 (0.58) CNR2KDM4ETDP1ALOX15TSHR
SCHEMBL28022486 0.72 P4HTM (0.44) KDM4ETDP1ALOX15TSHRALDH1A1
Acetic Acid SCHEMBL28089005 0.72 ALDH1A1 (0.40) ALDH1A1L3MBTL1MTNR1AMTNR1BRAB9A
SCHEMBL1425108 0.68 KDM4E (0.56) KDM4ETDP1ALOX15TSHRACMSD
SCHEMBL3629670 0.67 KDM4E (0.50) KDM4ETDP1ALOX15TSHRACMSD
Hydrochloric Acid SCHEMBL29154171 0.66 KDM4E (0.55) KDM4ETDP1ALOX15TSHRACMSD
SCHEMBL3648082 0.65 KDM4E (0.48) KDM4ETDP1ALOX15TSHRACMSD

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 51 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106349156-B It can be used as the pyridine -2- amides of CB2 agonist 霍夫曼-拉罗奇有限公司 2018-12-11 — — CN disclosed
CN-104854092-B Pyridine-2-amides useful as CB2 agonists 霍夫曼-拉罗奇有限公司 2018-08-10 — — CN disclosed
EP-3357918-A1 NOVEL PYRIDINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2018-08-08 — — EP disclosed
EP-3357918-A1 NOVEL PYRIDINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2018-08-08 — — EP disclosed
EP-3072886-B1 PYRIDIN-2-AMIDES USEFUL AS CB2 AGONISTS HOFFMANN LA ROCHE (CH) 2018-04-18 — — EP disclosed
EP-3072886-B1 PYRIDIN-2-AMIDES USEFUL AS CB2 AGONISTS HOFFMANN LA ROCHE (CH) 2018-04-18 — — EP disclosed
EP-2928881-B1 NOVEL PYRIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2018-03-14 — — EP disclosed
EP-2928881-B1 NOVEL PYRIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2018-03-14 — — EP disclosed
CN-107674061-A Pyridine derivate 霍夫曼-拉罗奇有限公司 2018-02-09 — — CN disclosed
CN-104837831-B Novel pyridine derivatives 霍夫曼-拉罗奇有限公司 2017-10-31 — — CN disclosed
WO-2014086705-A1 NOVEL PYRIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2014-06-12 — — WO disclosed
WO-2014086705-A1 NOVEL PYRIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2014-06-12 — — WO disclosed
WO-2014086806-A1 PYRIDINE-2-AMIDES USEFUL AS CB2 AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2014-06-12 — — WO disclosed
WO-2014086806-A1 PYRIDINE-2-AMIDES USEFUL AS CB2 AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2014-06-12 — — WO disclosed
EP-2718266-A1 PYRIDIN- 2 -AMIDES USEFUL AS CB2 AGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2014-04-16 — — EP disclosed
US-20120316147-A1 NOVEL PYRIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2012-12-13 — — US disclosed
US-20120316147-A1 NOVEL PYRIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2012-12-13 — — US disclosed
WO-2012168350-A1 PYRIDIN- 2 -AMIDES USEFUL AS CB2 AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2012-12-13 — — WO disclosed
WO-2012168350-A1 PYRIDIN- 2 -AMIDES USEFUL AS CB2 AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2012-12-13 — — WO disclosed
US-20120316147-A1 NOVEL PYRIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2012-12-13 — — 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-20120316147-A1 NOVEL PYRIDINE DERIVATIVES NDUFS6, NDUFS4, NDUFV1 CNR2 19/4885KDM4E 1028/4885TDP1 2495/4885

“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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