SCHEMBL3780953

SCHEMBL3780953

C[C]1CCN(C(N)=O)CC1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.36
HTT P42858 3/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HTR1A P08908 1/20 0.35
HTR2A P28223 1/20 0.35
HTR7 P34969 1/20 0.35
HTR6 P50406 1/20 0.35
GAA P10253 3/20 0.35
POLB P06746 1/20 0.32
NOTUM Q6P988 1/20 0.31
KDM4E B2RXH2 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C9 P11712 1/20 0.30
HPGD P15428 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL7504570 0.86
SCHEMBL1053985 0.77 ALDH1A1 (0.37) ALDH1A1HTTNPSR1HTR1AHTR2A
SCHEMBL2161595 0.77 CYP1A2 (0.50) ALDH1A1NOTUMKDM4EHPGD
SCHEMBL29367322 0.75 HSP90AA1 (0.41) ALDH1A1HTTNPSR1HTR1AHTR2A
SCHEMBL14813749 0.75 LMNA (0.34) ALDH1A1HTTNPSR1HTR1AHTR2A
SCHEMBL422638 0.74
SCHEMBL572569 0.74 ALDH1A1 (0.45) ALDH1A1HTTNPSR1HTR1AHTR2A
SCHEMBL14738035 0.74
Ethylene SCHEMBL8380036 0.73 ALDH1A1 (0.35) ALDH1A1HTTNPSR1HTR1AHTR2A
SCHEMBL14814155 0.72 IKBKB (0.35) ALDH1A1HTTNPSR1HTR1AHTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2763990-B1 PYRROLOPYRAZINE KINASE INHIBITORS HOFFMANN LA ROCHE (CH) 2017-02-22 EP claimed
EP-2760862-B1 6-(4-HYDROXY-PHENYL)-3-ALKYL-1H-PYRAZOLO[3,4-B]PYRIDINE-4-CARBOXYLIC ACID AMIDE DERIVATIVES AS KINASE INHIBITORS SANOFI SA (FR) 2015-10-21 EP claimed
US-8846712-B2 6-(4-hydroxy-phenyl)-3-styryl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid amide derivatives as kinase inhibitors SANOFI (FR) 2014-09-30 US claimed
EP-2760862-A1 6-(4-HYDROXY-PHENYL)-3-ALKYL-1H-PYRAZOLO[3,4-B]PYRIDINE-4-CARBOXYLIC ACID AMIDE DERIVATIVES AS KINASE INHIBITORS SANOFI (FR) 2014-08-06 EP claimed
EP-2567959-B1 6-(4-HYDROXY-PHENYL)-3-STYRYL-1H-PYRAZOLO[3,4-B]PYRIDINE-4-CARBOXYLIC ACID AMIDE DERIVATIVES AS KINASE INHIBITORS SANOFI SA (FR) 2014-04-16 EP claimed
US-8658646-B2 Pyrrolopyrazine kinase inhibitors HOFFMANN-LAROCHE INC. (US) 2014-02-25 US claimed
WO-2013045413-A1 6-(4-HYDROXY-PHENYL)-3-ALKYL-1H-PYRAZOLO[3,4-B]PYRIDINE-4-CARBOXYLIC ACID AMIDE DERIVATIVES AS KINASE INHIBITORS SANOFI (FR) 2013-04-04 WO claimed
US-20130085128-A1 6-(4-Hydroxy-phenyl)-3-alkyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid amide derivatives as kinase inhibitors SANOFI (FR) 2013-04-04 US claimed
WO-2013037390-A1 6-(4-HYDROXY-PHENYL)-3-STYRYL-1H-PYRAZOLO[3,4-B]PYRIDINE-4-CARBOXYLIC ACID AMIDE DERIVATIVES AS KINASE INHIBITORS SANOFI (FR) 2013-03-21 WO claimed
US-20130065894-A1 6-(4-HYDROXY-PHENYL)-3-STYRYL-1H-PYRAZOLO[3,4-b]PYRIDINE-4-CARBOXYLIC ACID AMIDE DERIVATIVES AS KINASE INHIBITORS SANOFI (FR) 2013-03-14 US claimed
EP-2567959-A1 6-(4-Hydroxy-phenyl)-3-styryl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid amide derivatives as kinase inhibitors SANOFI (FR) 2013-03-13 EP claimed
US-8354444-B2 Substituted pyrrolidine-2-carboxamides HOFFMANN-LA ROCHE INC. (US) 2013-01-15 US claimed
EP-2534132-A1 SUBSTITUTED PYRROLIDINE-2-CARBOXAMIDES F. Hoffmann-La Roche AG (CH) 2012-12-19 EP claimed
US-20100152190-A1 Substituted Pyrrolidine-2-Carboxamides F. HOFFMANN-LA ROCHE AG (CH) 2010-06-17 US claimed
CN-107847600-B Combination therapy of anti-CD 20 antibodies with Bcl-2 inhibitors and MDM2 inhibitors 豪夫迈·罗氏有限公司 2021-09-03 CN disclosed
EP-3302549-B1 COMBINATION THERAPY OF AN ANTI CD20 ANTIBODY WITH A BCL-2 INHIBITOR AND A MDM2 INHIBITOR HOFFMANN LA ROCHE (CH) 2019-07-03 EP disclosed
EP-3302549-A1 COMBINATION THERAPY OF AN ANTI CD20 ANTIBODY WITH A BCL-2 INHIBITOR AND A MDM2 INHIBITOR H. Hoffnabb-La Roche Ag (CH) 2018-04-11 EP disclosed
US-8354444-B2 Substituted pyrrolidine-2-carboxamides HOFFMANN-LA ROCHE INC. (US) 2013-01-15 US disclosed
EP-2534132-A1 SUBSTITUTED PYRROLIDINE-2-CARBOXAMIDES F. Hoffmann-La Roche AG (CH) 2012-12-19 EP disclosed
US-20100152190-A1 Substituted Pyrrolidine-2-Carboxamides F. HOFFMANN-LA ROCHE AG (CH) 2010-06-17 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 (3 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-20130065894-A1 6-(4-HYDROXY-PHENYL)-3-STYRYL-1H-PYRAZOLO[3,4-b]PYRIDINE-4-CARBOXYLIC ACID AMIDE DERIVATIVES AS KINASE INHIBITORS MAP3K1, MAP4K2, MAP3K6 ALDH1A1 872/4885HTT 3936/4885NPSR1 4023/4885
US-20100152190-A1 Substituted Pyrrolidine-2-Carboxamides ARG2, CCNY, PYCR1 ALDH1A1 2027/4885HTT 3212/4885NPSR1 841/4885
US-20130085128-A1 6-(4-Hydroxy-phenyl)-3-alkyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid amide derivatives as kinase inhibitors MAP3K1, MAP3K6, MAP4K2 ALDH1A1 1088/4885HTT 3793/4885NPSR1 3943/4885

“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.