SCHEMBL769227

SCHEMBL769227

CN1C(=O)Cc2cc(Br)c(C#N)cc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRIM24 O15164 2/20 0.38
IDO1 P14902 1/20 0.37
ALDH1A1 P00352 2/20 0.35
GAA P10253 2/20 0.35
PKM P14618 4/20 0.33
BMPR1B O00238 3/20 0.33
BMPR1A P36894 3/20 0.33
ACVRL1 P37023 3/20 0.33
ACVR1 Q04771 3/20 0.33
TGFBR1 P36897 2/20 0.33
KCNJ1 P48048 1/20 0.32
KCNH2 Q12809 1/20 0.32
CCNB2 O95067 1/20 0.32
CDK1 P06493 1/20 0.32
CCNB1 P14635 1/20 0.32
GSK3B P49841 1/20 0.32
CCNB3 Q8WWL7 1/20 0.32
SMYD3 Q9H7B4 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL16320915 0.76 PKM (0.41) TRIM24IDO1ALDH1A1GAAPKM
SCHEMBL22667210 0.76 BMPR1B (0.42) TRIM24IDO1ALDH1A1GAAPKM
SCHEMBL26654727 0.73 GAA (0.43) TRIM24IDO1ALDH1A1GAABMPR1B
SCHEMBL31457648 0.73 GAA (0.43) TRIM24IDO1ALDH1A1GAABMPR1B
SCHEMBL25036246 0.72 BMPR1B (0.39) TRIM24IDO1ALDH1A1GAAPKM
SCHEMBL777417 0.72 IDO1 (0.37) TRIM24IDO1ALDH1A1GAAPKM
SCHEMBL8998878 0.71 CASP3 (0.51) TRIM24IDO1ALDH1A1GAAPKM
SCHEMBL749506 0.71 CASP3 (0.47) TRIM24ALDH1A1GAA
SCHEMBL768871 0.70 CYP11B2 (0.56) ALDH1A1BMPR1BBMPR1AACVRL1ACVR1
SCHEMBL31626486 0.69 LCK (0.40) TRIM24IDO1ALDH1A1GAAPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140275175-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2014-09-18 US disclosed
US-20140275175-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2014-09-18 US disclosed
US-8778972-B2 5-pyridin-3-yl-1, 3-dihydro-indol-2-on derivatives and their use as modulators of aldosterone synthase and/or CYP11B1 NOVARTIS AG (CH) 2014-07-15 US disclosed
US-8778972-B2 5-pyridin-3-yl-1, 3-dihydro-indol-2-on derivatives and their use as modulators of aldosterone synthase and/or CYP11B1 NOVARTIS AG (CH) 2014-07-15 US disclosed
CN-102459223-A 5-pyridin-3-yl-1, 3-dihydro-indol-2-one derivatives and their use as aldosterone synthase and/or CYP11B1 modulators NOVARTIS AG 2012-05-16 CN disclosed
US-20120071512-A1 5-PYRIDIN-3-YL-1, 3-DIHYDRO-INDOL-2-ON DERIVATIVES AND THEIR USE AS MODULATORS OF ALDOSTERONE SYNTHASE AND/OR CYP11B1 NOVARTIS AG (CH) 2012-03-22 US disclosed
US-20120071512-A1 5-PYRIDIN-3-YL-1, 3-DIHYDRO-INDOL-2-ON DERIVATIVES AND THEIR USE AS MODULATORS OF ALDOSTERONE SYNTHASE AND/OR CYP11B1 NOVARTIS AG (CH) 2012-03-22 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 (2 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-20140275175-A1 ORGANIC COMPOUNDS CYP11B2, CYP11B1, SLCO1B1 TRIM24 3610/4885IDO1 958/4885ALDH1A1 65/4885
US-20120071512-A1 5-PYRIDIN-3-YL-1, 3-DIHYDRO-INDOL-2-ON DERIVATIVES AND THEIR USE AS MODULATORS OF ALDOSTERONE SYNTHASE AND/OR CYP11B1 CYP11B1, HSD11B1, CYP11B2 TRIM24 3232/4885IDO1 88/4885ALDH1A1 330/4885

“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.