SCHEMBL12430347

SCHEMBL12430347

[C-]#[N+]c1c(-c2ccc(C#N)cc2)cc(C(C)(C)C)nc1Br

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SQOR Q9Y6N5 1/20 0.41
KIF11 P52732 1/20 0.39
KDM4E B2RXH2 1/20 0.34
HPGD P15428 1/20 0.34
PPARG P37231 1/20 0.34
NCOA2 Q15596 1/20 0.34
NCOA1 Q15788 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
NCOA3 Q9Y6Q9 1/20 0.34
CYP11B2 P19099 5/20 0.33
GRM2 Q14416 1/20 0.33
SLC22A12 Q96S37 6/20 0.33
GAA P10253 1/20 0.31
KDM1A O60341 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP2A6 P11509 1/20 0.31
CYP11B1 P15538 1/20 0.31

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
SCHEMBL12430337 0.85 NPSR1 (0.35) SQORKDM4EHPGDPPARGNCOA2
SCHEMBL2202030 0.81 SQOR (0.53) SQORKIF11KDM4EHPGDPPARG
SCHEMBL2202014 0.71 HPGD (0.64) SQORKDM4EHPGDPPARGNCOA2
SCHEMBL12430342 0.69 KDM4E (0.40) KIF11KDM4EHPGDCYP11B2SLC22A12
SCHEMBL19531874 0.66 KIF11 (0.51) SQORKIF11GAAALDH1A1CYP2A6
SCHEMBL2230458 0.65 SQOR (0.39) SQORKIF11GRM2
SCHEMBL17808218 0.64 KIF11 (0.45) SQORKIF11CYP11B2SLC22A12KDM1A
SCHEMBL6252443 0.64 KDM4E (0.55) SQORKDM4EHPGDPPARGNPSR1
SCHEMBL22543792 0.63 KIF11 (0.39) SQORKIF11KDM4EALDH1A1CYP2A6
SCHEMBL26223284 0.62 KIF11 (0.59) KIF11CYP11B2SLC22A12GAAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 1563/4885KIF11 3313/4885KDM4E 1340/4885

“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.