SCHEMBL2228840

SCHEMBL2228840

Cc1ccc(-c2cc(C(C)(C)C)nc3[nH]nc(N)c23)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 7/20 0.42
KIT P10721 5/20 0.42
FLT3 P36888 4/20 0.42
ABL1 P00519 4/20 0.40
BCR P11274 3/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
SGK1 O00141 2/20 0.38
KDM4E B2RXH2 2/20 0.38
PPARG P37231 2/20 0.38
MCL1 Q07820 2/20 0.38
NR2E3 Q9Y5X4 2/20 0.38
NCOR2 Q9Y618 2/20 0.38
POLB P06746 1/20 0.38
HPGD P15428 1/20 0.37
PTK2B Q14289 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL2821058 0.92 KDR (0.44) KDRKITFLT3ABL1BCR
SCHEMBL2817289 0.89 KDR (0.60) KDRKITFLT3ABL1AURKA
SCHEMBL2820453 0.87 KIT (0.50) KDRKITMEN1KMT2ASGK1
SCHEMBL2230458 0.86 SQOR (0.39) SGK1MINK1MAP4K4MARK3TNIK
SCHEMBL2815922 0.86 KDR (0.49) KDRKITFLT3ABL1BCR
SCHEMBL2230678 0.85 JAK2 (0.42) KDRKITFLT3ABL1BCR
SCHEMBL2821053 0.85 LTK (0.46) KDRKITFLT3ABL1BCR
SCHEMBL2229794 0.84 BTK (0.51) KDRLCKSRCTEK
SCHEMBL2228242 0.84 DYRK1A (0.40) SMN1; SMN2MEN1KMT2AHPGDDYRK1A
SCHEMBL2816792 0.83 KDR (0.58) KDRKITFLT3ABL1AURKA

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 KDR 675/4885KIT 578/4885FLT3 47/4885

“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.