SCHEMBL7307647

SCHEMBL7307647

CC1(C)C(=O)Nc2cc(C(=O)CBr)ccc21

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 5/20 0.52
PDK2 Q15119 1/20 0.45
PDK4 Q16654 1/20 0.45
GSK3B P49841 8/20 0.42
PTPN1 P18031 5/20 0.41
PGR P06401 1/20 0.41
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GNG2 P59768 1/20 0.36
GNB1 P62873 1/20 0.36

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
SCHEMBL3839942 0.81 MAPK14 (0.57) MAPK14PDK2PDK4PGRSMN1; SMN2
SCHEMBL20594659 0.81 MAPK14 (0.72) MAPK14PDK2PDK4PGRKDM4E
SCHEMBL29906734 0.81 MAPK14 (0.57) MAPK14PDK2PDK4PGRSMN1; SMN2
SCHEMBL4793061 0.80 MAPK14 (0.56) MAPK14PDK2PDK4PGRKDM4E
SCHEMBL16323842 0.79 ALDH1A1 (0.60) MAPK14PDK2PDK4PGRKDM4E
SCHEMBL12467499 0.78 RARB (0.56) GSK3BPTPN1ALDH1A1GNG2GNB1
SCHEMBL29825095 0.77 MAPK14 (0.53) MAPK14PDK2PDK4PGRKDM4E
SCHEMBL16321516 0.77 MAPK14 (0.53) MAPK14PDK2PDK4PGRKDM4E
SCHEMBL9207003 0.75 MAPK14 (0.58) MAPK14PDK2PDK4PGRKDM4E
SCHEMBL7428391 0.74 PDE4A (0.43) GSK3BPTPN1PGRALDH1A1SMN1; SMN2

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10385050-B2 Indolin-2-one and 1,3-dihydro-pyrrolo[3,2-c]pyridin-2-one derivatives HOFFMANN-LA ROCHE INC. (US) 2019-08-20 US disclosed
EP-3145923-B1 INDOLIN-2-ONE AND 1,3-DIHYDRO-PYRROLO[3,2-C]PYRIDIN-2-ONE DERIVATIVES HOFFMANN LA ROCHE (CH) 2019-01-30 EP disclosed
US-20190016719-A1 INDOLIN-2-ONE AND 1,3-DIHYDRO-PYRROLO[3,2-c]PYRIDIN-2-ONE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2019-01-17 US disclosed
US-10112938-B2 Indolin-2-one and 1,3-dihydro-pyrrolo[3,2-c]pyridin-2-one derivatives HOFFMAN-LA ROCHE INC. (US) 2018-10-30 US disclosed
EP-3145923-A1 INDOLIN-2-ONE AND 1,3-DIHYDRO-PYRROLO[3,2-c]PYRIDIN-2-ONE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2017-03-29 EP disclosed
US-20170057960-A1 INDOLIN-2-ONE AND 1,3-DIHYDRO-PYRROLO[3,2-c]PYRIDIN-2-ONE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2017-03-02 US disclosed
US-20170057960-A1 INDOLIN-2-ONE AND 1,3-DIHYDRO-PYRROLO[3,2-c]PYRIDIN-2-ONE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2017-03-02 US disclosed
WO-2015177110-A1 INDOLIN-2-ONE AND 1,3-DIHYDRO-PYRROLO[3,2-c]PYRIDIN-2-ONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2015-11-26 WO disclosed
US-4818755-A Bicyclic heteroaryl thiazole compounds, cardiotonic compositions including the same, and their uses RORER PHARMACEUTICAL CORPORATON (US) 1989-04-04 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 (4 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-10385050-B2 Indolin-2-one and 1,3-dihydro-pyrrolo[3,2-c]pyridin-2-one derivatives TPH1, TPH2, HTR1A MAPK14 4111/4885PDK2 397/4885PDK4 921/4885
US-20190016719-A1 INDOLIN-2-ONE AND 1,3-DIHYDRO-PYRROLO[3,2-c]PYRIDIN-2-ONE DERIVATIVES TPH1, TPH2, HTR1A MAPK14 4111/4885PDK2 397/4885PDK4 921/4885
US-20170057960-A1 INDOLIN-2-ONE AND 1,3-DIHYDRO-PYRROLO[3,2-c]PYRIDIN-2-ONE DERIVATIVES TPH1, TPH2, HTR1A MAPK14 4111/4885PDK2 397/4885PDK4 921/4885
US-10112938-B2 Indolin-2-one and 1,3-dihydro-pyrrolo[3,2-c]pyridin-2-one derivatives TPH1, TPH2, HTR1A MAPK14 4111/4885PDK2 397/4885PDK4 921/4885

“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.