Sugi Predict

Sugi Predict / Compounds / SCHEMBL2229913

SCHEMBL2229913

SCHEMBL2229913

Cc1ccc(-c2cc(C3CCC(N4CCN(C(=O)OC(C)(C)C)CC4)CC3)nc3[nH]nc(N)c23)cc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.41
▸ ABL1 P00519 2/20 0.39
▸ BCR P11274 2/20 0.39
▸ BTK Q06187 2/20 0.38
▸ IGF1R P08069 1/20 0.38
▸ IRAK4 Q9NWZ3 1/20 0.38
▸ GPR119 Q8TDV5 1/20 0.38
▸ KMT2A Q03164 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ SRC P12931 1/20 0.37
▸ JAK1 P23458 1/20 0.37
▸ SMARCA2 P51531 1/20 0.37
▸ SMARCA4 P51532 1/20 0.37
▸ PBRM1 Q86U86 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
SCHEMBL2231069 0.90 BTK (0.50) HTTBTK
SCHEMBL2230755 0.84 KDR (0.37) ABL1BCRBTKIGF1RIRAK4
SCHEMBL2230196 0.83 HRH3 (0.37) ABL1BCRBTKIGF1RSRC
SCHEMBL2229472 0.82 HPGD (0.36) ABL1BCRBTKIGF1RKMT2A
SCHEMBL2228604 0.81 IGF1R (0.42) IGF1RIRAK4
SCHEMBL2229522 0.79 ABL1 (0.46) ABL1BCRKMT2AMEN1JAK1
SCHEMBL2230493 0.74 BTK (0.41) ABL1BCRBTKKMT2AMEN1
SCHEMBL2232196 0.74 KDR (0.38) ABL1BCRBTKIRAK4
SCHEMBL6116000 0.72 BTK (0.51) BTK
SCHEMBL2230919 0.72 LCK (0.51) ABL1BTKIRAK4SRC

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 HTT 3733/4885ABL1 2/4885BCR 832/4885

“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.