Sugi Predict

Sugi Predict / Compounds / SCHEMBL2198128

SCHEMBL2198128

SCHEMBL2198128

CC(=O)Oc1cccc(-c2cc(C3CC3)nc(OS(=O)(=O)C(F)(F)F)c2C#N)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.48
▸ ALDH1A1 P00352 4/20 0.43
▸ HPGD P15428 3/20 0.43
▸ NPSR1 Q6W5P4 4/20 0.42
▸ KDM4E B2RXH2 4/20 0.42
▸ MAPT P10636 4/20 0.42
▸ MEN1 O00255 3/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ TSHR P16473 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ ADORA1 P30542 3/20 0.40
▸ ADORA2A P29274 2/20 0.40
▸ GPR119 Q8TDV5 3/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ PPARG P37231 1/20 0.38
▸ NCOA2 Q15596 1/20 0.38
▸ NCOA1 Q15788 1/20 0.38

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
SCHEMBL2202236 0.96 GAA (0.44) GAAALDH1A1HPGDNPSR1KDM4E
SCHEMBL2202897 0.85 SQOR (0.49) GAAALDH1A1HPGDNPSR1KDM4E
SCHEMBL2203647 0.84 SQOR (0.43) ALDH1A1HPGDNPSR1KDM4EMAPT
SCHEMBL2204237 0.83 SQOR (0.49) GAAALDH1A1HPGDNPSR1KDM4E
SCHEMBL12510330 0.81 ADORA1 (0.37) ALDH1A1KDM4EMAPTKMT2AADORA1
SCHEMBL2816637 0.78 ADORA2A (0.53) GAAALDH1A1HPGDNPSR1KDM4E
SCHEMBL2819256 0.78 GAA (0.51) GAAALDH1A1HPGDNPSR1KDM4E
SCHEMBL12430374 0.76 ADORA2A (0.43) GAAALDH1A1HPGDNPSR1KDM4E
SCHEMBL2817003 0.75 ADORA2A (0.44) GAAALDH1A1HPGDNPSR1KDM4E
SCHEMBL4421882 0.75 DGAT1 (0.45) GAAMAPTMEN1KMT2AHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1846402-B1 3-AMINO-PYRAZOLO[3,4B]PYRIDINES USED AS INHIBITORS OF PROTEIN TYROSINE KINASES FOR TREATING ANGIOGENIC, HYPERPROLIFERATIVE OR NEURODEGENERATIVE DISEASES BAYER IP GMBH (DE) 2014-02-26 — — EP disclosed
US-7977325-B2 3-amino-pyrazolo[3,4b]pyridines as inhibitors of protein tyrosine kinases, their production and use as pharmaceutical agents BAYER SCHERING PHARMA AG (DE) 2011-07-12 — — US disclosed
US-7977325-B2 3-amino-pyrazolo[3,4b]pyridines as inhibitors of protein tyrosine kinases, their production and use as pharmaceutical agents BAYER SCHERING PHARMA AG (DE) 2011-07-12 — — US disclosed
US-20090030010-A1 3-Amino-pyrazolo[3,4b]pyridines as inhibitors of protein tyrosine kinases, their production and use as pharmaceutical agents GENESYS CLOUD SERVICES, INC. 2009-01-29 — — US disclosed
US-20090030010-A1 3-Amino-pyrazolo[3,4b]pyridines as inhibitors of protein tyrosine kinases, their production and use as pharmaceutical agents GENESYS CLOUD SERVICES, INC. 2009-01-29 — — 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-20090030010-A1 3-Amino-pyrazolo[3,4b]pyridines as inhibitors of protein tyrosine kinases, their production and use as pharmaceutical agents MAP4K2, ABL1, MAP4K3 GAA 1221/4885ALDH1A1 2786/4885HPGD 2273/4885

“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.