SCHEMBL3080948

SCHEMBL3080948

CCN1CCC[CH]C1C(N)=O

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ALDH1A1 P00352 2/20 0.36
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.33
RAB9A P51151 1/20 0.33
DRD2 P14416 2/20 0.32
ABCG2 Q9UNQ0 1/20 0.32
GAA P10253 2/20 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
SCHEMBL14834704 1.00 SMN1; SMN2 (0.38) SMN1; SMN2L3MBTL1ALDH1A1HTTKMT2A
SCHEMBL7143543 1.00 SMN1; SMN2 (0.38) SMN1; SMN2L3MBTL1ALDH1A1HTTKMT2A
SCHEMBL4703205 0.95 SMN1; SMN2 (0.37) SMN1; SMN2L3MBTL1ALDH1A1HTTKMT2A
SCHEMBL14834486 0.89 SMN1; SMN2 (0.40) SMN1; SMN2L3MBTL1ALDH1A1KMT2AGAA
SCHEMBL14834460 0.89 SMN1; SMN2 (0.40) SMN1; SMN2L3MBTL1ALDH1A1KMT2AGAA
SCHEMBL3966132 0.89 SMN1; SMN2 (0.40) SMN1; SMN2L3MBTL1ALDH1A1KMT2AGAA
SCHEMBL14834692 0.86 LMNA (0.35) SMN1; SMN2L3MBTL1DRD2
SCHEMBL14834396 0.86 LMNA (0.35) SMN1; SMN2L3MBTL1DRD2
SCHEMBL11972105 0.80 OPRM1 (0.36) SMN1; SMN2ALDH1A1GAA
SCHEMBL15049918 0.80 OPRM1 (0.36) SMN1; SMN2ALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2771340-B1 6-(4-HYDROXY-PHENYL)-1H-PYRAZOLO[3,4-B]PYRIDINE-4-CARBOXYLIC ACID AMIDE DERIVATIVES AS KINASE INHIBITORS SANOFI SA (FR) 2016-04-13 EP claimed
EP-2576537-B1 2-AMINO-PYRIMIDINE DERIVATIVES USEFUL AS INHIBITORS OF JNK HOFFMANN LA ROCHE (CH) 2016-03-16 EP claimed
US-8642601-B2 Inhibitors of JNK ROCHE PALO ALTO LLC (US) 2014-02-04 US claimed
US-20130150340-A1 6-(4-Hydroxy-phenyl)-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid amide derivatives as kinase inhibitors SANOFI (FR) 2013-06-13 US claimed
EP-2576537-A1 2 -AMINO- PYRIMIDINE DERIVATIVES USEFUL AS INHIBITORS OF JNK F.HOFFMANN-LA ROCHE AG (CH) 2013-04-10 EP claimed
WO-2011151358-A1 2 -AMINO- PYRIMIDINE DERIVATIVES USEFUL AS INHIBITORS OF JNK F. HOFFMANN-LA ROCHE AG (CH) 2011-12-08 WO claimed
US-20110301171-A1 Inhibitors of JNK ARZENO HUMBERTO BARTOLOME (US) 2011-12-08 US claimed
US-20100249112-A1 COMBINATION OF CHK AND PARP INHIBITORS FOR THE TREATMENT OF CANCERS ASTRAZENECA R&D (SE) 2010-09-30 US claimed
US-20100240645-A1 COMBINATION OF CHECKPONIT KINASE (CHK) AND TELANGIECTASIA MUTATED (ATM) INHIBITORS FOR THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2010-09-23 US claimed
EP-2167086-A1 COMBINATION OF CHK AND PARP INHIBITORS FOR THE TREATMENT OF CANCERS AstraZeneca AB (SE) 2010-03-31 EP claimed
JP-2007513193-A 2007-05-24 JP claimed
EP-1761519-A1 INDOLE DERIVATIVES AS HISTAMINE RECEPTOR ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2007-03-14 EP claimed
US-20070010556-A1 Thiophene derivatives as chk 1 inhibitors ASTRAZENECA AB (SE) 2007-01-11 US claimed
EP-1732920-A2 THIOPHENE DERIVATIVES AS CHK 1 INHIBITORS AstraZeneca AB (SE) 2006-12-20 EP claimed
EP-1694673-A1 NOVEL THIAZOLE DERIVATES F.HOFFMANN-LA ROCHE AG (CH) 2006-08-30 EP claimed
WO-2005123716-A1 INDOLE DERIVATIVES AS HISTAMINE RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2005-12-29 WO claimed
US-20050282864-A1 Indole derivatives as H3 inverse agonists HOFFMANN-LA ROCHE INC. 2005-12-22 US claimed
WO-2005066163-A2 THIOPHENE DERIVATIVES AS CHK 1 INIHIBITORS ASTRAZENECA AB (SE) 2005-07-21 WO claimed
US-20050153962-A1 Thiazole derivatives HOFFMANN-LA ROCHE INC. 2005-07-14 US claimed
WO-2005058887-A1 NOVEL THIAZOLE DERIVATES F. HOFFMANN-LA ROCHE AG (CH) 2005-06-30 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 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-20130150340-A1 6-(4-Hydroxy-phenyl)-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid amide derivatives as kinase inhibitors MAP3K1, MAP4K2, MAP3K19 SMN1; SMN2 2861/4885L3MBTL1 4102/4885ALDH1A1 934/4885
US-20070010556-A1 Thiophene derivatives as chk 1 inhibitors CHEK1, CHKA, CHEK2 SMN1; SMN2 4643/4885L3MBTL1 2105/4885ALDH1A1 2326/4885
US-20050282864-A1 Indole derivatives as H3 inverse agonists HRH3, HRH4, ADRB1 SMN1; SMN2 3987/4885L3MBTL1 2719/4885ALDH1A1 2007/4885
US-20100240645-A1 COMBINATION OF CHECKPONIT KINASE (CHK) AND TELANGIECTASIA MUTATED (ATM) INHIBITORS FOR THE TREATMENT OF CANCER CHEK2, ATM, CHEK1 SMN1; SMN2 1432/4885L3MBTL1 1713/4885ALDH1A1 4410/4885
US-20110301171-A1 Inhibitors of JNK MAPK9, MAP3K9, MAPK1 SMN1; SMN2 3209/4885L3MBTL1 1546/4885ALDH1A1 4409/4885
US-20050153962-A1 Thiazole derivatives CNR1, CNR2, GPR119 SMN1; SMN2 3460/4885L3MBTL1 2979/4885ALDH1A1 473/4885
US-20100249112-A1 COMBINATION OF CHK AND PARP INHIBITORS FOR THE TREATMENT OF CANCERS CHEK1, CHEK2, PARP1 SMN1; SMN2 2368/4885L3MBTL1 1519/4885ALDH1A1 2811/4885

“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.