SCHEMBL12430336

SCHEMBL12430336

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

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.32
HPGD P15428 5/20 0.32
GAA P10253 3/20 0.32
KDM4E B2RXH2 3/20 0.32
GLA P06280 2/20 0.32
MAPK14 Q16539 2/20 0.32
RAF1 P04049 1/20 0.32
ATM Q13315 1/20 0.32
PARP1 P09874 1/20 0.31
RAB9A P51151 3/20 0.31
NPC1 O15118 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
KMT2A Q03164 2/20 0.31
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
MAPK1 P28482 1/20 0.31
ADORA3 P0DMS8 1/20 0.31
MAOB P27338 1/20 0.31
DAO P14920 1/20 0.30
PDE3B Q13370 1/20 0.30

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
SCHEMBL12430342 0.84 KDM4E (0.40) ALDH1A1HPGDGAAKDM4EGLA
SCHEMBL2198100 0.74 GLA (0.54) ALDH1A1HPGDGAAKDM4EGLA
SCHEMBL12430337 0.67 NPSR1 (0.35) ALDH1A1HPGDGAAKDM4ERAB9A
SCHEMBL31624208 0.63 PLAT (0.49) ALDH1A1HPGDKDM4ERAB9ANPC1
SCHEMBL2199412 0.63 KDM4E (0.54) ALDH1A1HPGDGAAKDM4EGLA
SCHEMBL2201918 0.62 PIM1 (0.48) ALDH1A1HPGDGAAKDM4EGLA
SCHEMBL2204614 0.62 PIM1 (0.51) ALDH1A1HPGDGAAKDM4EGLA
SCHEMBL15043728 0.61 DAO (0.39) ALDH1A1HPGDGAAKDM4EGLA
SCHEMBL15492448 0.61 ATM (0.64) ALDH1A1HPGDGAAKDM4EGLA
SCHEMBL12375855 0.61 BRD4 (0.37) ALDH1A1HPGDGAAKDM4EPARP1

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 ALDH1A1 2786/4885HPGD 2273/4885GAA 1221/4885

“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.