Sugi Predict

Sugi Predict / Compounds / SCHEMBL2202030

SCHEMBL2202030

SCHEMBL2202030

CC(C)(C)c1cc(-c2ccc(C#N)cc2)c(C#N)c(Br)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SQOR Q9Y6N5 1/20 0.53
▸ HPGD P15428 6/20 0.52
▸ NPSR1 Q6W5P4 5/20 0.52
▸ KDM4E B2RXH2 5/20 0.52
▸ PPARG P37231 3/20 0.52
▸ NCOA2 Q15596 2/20 0.52
▸ NCOA1 Q15788 2/20 0.52
▸ NCOA3 Q9Y6Q9 1/20 0.52
▸ L3MBTL1 Q9Y468 2/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ KIF11 P52732 1/20 0.42
▸ RXFP1 Q9HBX9 2/20 0.40
▸ ALDH1A1 P00352 6/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ LMNA P02545 3/20 0.37
▸ ADORA2A P29274 1/20 0.37
▸ ADORA1 P30542 1/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ HSD17B10 Q99714 2/20 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
SCHEMBL2202014 0.90 HPGD (0.64) SQORHPGDNPSR1KDM4EPPARG
SCHEMBL12430347 0.81 SQOR (0.41) SQORHPGDNPSR1KDM4EPPARG
SCHEMBL6252443 0.76 KDM4E (0.55) SQORHPGDNPSR1KDM4EPPARG
SCHEMBL6255059 0.72 ADORA1 (0.64) SQORHPGDNPSR1KDM4EPPARG
SCHEMBL19531874 0.70 KIF11 (0.51) SQORKIF11ALDH1A1
SCHEMBL29442440 0.69 SQOR (1.00) SQORHPGDNPSR1KDM4ERXFP1
SCHEMBL22208351 0.69 SQOR (1.00) SQORHPGDNPSR1KDM4ERXFP1
SCHEMBL2230458 0.69 SQOR (0.39) SQORKIF11ADORA2AADORA1GRM2
SCHEMBL17808218 0.68 KIF11 (0.45) SQORKIF11ALDH1A1CYP11B2SLC22A12
SCHEMBL22543792 0.66 KIF11 (0.39) SQORKDM4EL3MBTL1KIF11ALDH1A1

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 SQOR 1563/4885HPGD 2273/4885NPSR1 2199/4885

“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.