SCHEMBL12430342

SCHEMBL12430342

[C-]#[N+]c1c(-c2ccc(C#N)cc2)cc(C(C)(C)C)[nH]c1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.40
HPGD P15428 4/20 0.40
ALDH1A1 P00352 3/20 0.40
GAA P10253 3/20 0.40
GLA P06280 1/20 0.40
KIF11 P52732 1/20 0.39
SLC22A12 Q96S37 3/20 0.32
PGR P06401 1/20 0.32
GALR3 O60755 1/20 0.32
CHEK1 O14757 1/20 0.32
WEE1 P30291 1/20 0.32
HSD17B10 Q99714 1/20 0.32
IDO1 P14902 1/20 0.32
PIM1 P11309 1/20 0.31
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
PDE5A O76074 1/20 0.31
LMNA P02545 1/20 0.31
TSHR P16473 1/20 0.31
PTGS1 P23219 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
SCHEMBL12430336 0.84 ALDH1A1 (0.32) KDM4EHPGDALDH1A1GAAGLA
SCHEMBL2199412 0.81 KDM4E (0.54) KDM4EHPGDALDH1A1GAAGLA
SCHEMBL2198100 0.70 GLA (0.54) KDM4EHPGDALDH1A1GAAGLA
SCHEMBL12430347 0.69 SQOR (0.41) KDM4EHPGDALDH1A1GAAKIF11
SCHEMBL15492448 0.69 ATM (0.64) KDM4EHPGDALDH1A1GAAGLA
SCHEMBL2201226 0.68 KDM4E (0.50) KDM4EHPGDALDH1A1GAAGLA
SCHEMBL2203894 0.66 KDR (0.53) KDM4EHPGDALDH1A1GAAGLA
SCHEMBL2200660 0.65 ATM (0.51) KDM4EHPGDALDH1A1GAAGLA
SCHEMBL2199168 0.63 KDM4E (0.55) KDM4EHPGDALDH1A1GAAGLA
SCHEMBL8210361 0.62 KDM4E (0.75) KDM4EHPGDALDH1A1GAAGALR3

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 KDM4E 1340/4885HPGD 2273/4885ALDH1A1 2786/4885

“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.