Sugi Predict

Sugi Predict / Compounds / SCHEMBL12430366

SCHEMBL12430366

SCHEMBL12430366

CC(C)(C)c1cc(-c2cccc(C#N)c2)c(C#N)c(OS(=O)(=O)C(F)(F)F)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE4A P27815 1/20 0.48
▸ PDE4C Q08493 1/20 0.48
▸ PDE4D Q08499 1/20 0.48
▸ SQOR Q9Y6N5 3/20 0.47
▸ ADORA1 P30542 5/20 0.41
▸ ADORA2A P29274 4/20 0.41
▸ ADORA2B P29275 3/20 0.41
▸ BACE1 P56817 1/20 0.41
▸ PTGDR2 Q9Y5Y4 1/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ HPGD P15428 2/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ VEGFA P15692 1/20 0.39
▸ EPAS1 Q99814 1/20 0.39
▸ SLC22A12 Q96S37 1/20 0.38
▸ LMNA P02545 2/20 0.37
▸ HTT P42858 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37

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
SCHEMBL12430361 0.88 SQOR (0.51) SQORADORA1ADORA2AADORA2BKMT2A
SCHEMBL2203647 0.84 SQOR (0.43) PDE4APDE4CPDE4DSQORADORA1
SCHEMBL2816528 0.83 SQOR (0.55) SQORADORA1ADORA2AKMT2AALDH1A1
SCHEMBL2204412 0.83 EPAS1 (0.42) PDE4APDE4CPDE4DSQORADORA1
SCHEMBL12430356 0.82 SQOR (0.52) SQORKMT2AALDH1A1HPGDMEN1
SCHEMBL14340812 0.81 SQOR (0.53) PDE4APDE4CPDE4DSQORADORA1
SCHEMBL2199288 0.81 SQOR (0.52) SQORADORA1ADORA2AADORA2BKMT2A
SCHEMBL12430358 0.80 PIM1 (0.48) SQORPTGDR2KMT2AALDH1A1HPGD
SCHEMBL2822200 0.79 SQOR (0.47) SQORKMT2AALDH1A1HPGDMEN1
SCHEMBL2816429 0.79 SQOR (0.51) PDE4APDE4CPDE4DSQORKMT2A

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 PDE4A 453/4885PDE4C 547/4885PDE4D 721/4885

“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.