SCHEMBL2230765

SCHEMBL2230765

CC(C)(C)c1cc(-c2c[nH]c3ccccc23)c2c(N)n[nH]c2n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHFR P00374 2/20 0.44
PRKD3 O94806 2/20 0.40
PRKD1 Q15139 2/20 0.40
PRKD2 Q9BZL6 2/20 0.40
MAPT P10636 5/20 0.40
KDM4E B2RXH2 4/20 0.40
ALDH1A1 P00352 3/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
THRB P10828 2/20 0.40
ALOX15 P16050 1/20 0.40
PPARG P37231 1/20 0.40
RAB9A P51151 1/20 0.40
NCOA2 Q15596 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TDO2 P48775 3/20 0.39
ALPL P05186 1/20 0.39
HTT P42858 1/20 0.39
CLK1 P49759 2/20 0.39

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
SCHEMBL2202966 0.76 ALOX5 (0.48) DHFRMAPTKDM4EALDH1A1MEN1
SCHEMBL2228840 0.74 KDR (0.42) PRKD3KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL2821058 0.74 KDR (0.44) DHFRPRKD3MAPTALDH1A1KMT2A
SCHEMBL2229794 0.72 BTK (0.51)
SCHEMBL2200619 0.71 AGPAT2 (0.35) PRKD3MEN1KMT2ARAB9AGAA
SCHEMBL2198786 0.71 PIK3CD (0.40) PRKD3PRKD2CLK1DYRK1APDGFRB
SCHEMBL2231538 0.70 DHFR (0.43) DHFRPRKD3PRKD2CDK5PDGFRB
SCHEMBL2203347 0.70 JAK2 (0.31)
SCHEMBL2230711 0.70 BTK (0.49) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL2230458 0.69 SQOR (0.39)

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 6 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-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
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 DHFR 1003/4885PRKD3 167/4885PRKD1 375/4885

“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.