Sugi Predict

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SCHEMBL2230196

SCHEMBL2230196

Cc1ccc(-c2cc(C3CCC(N4CCCCC4)CC3)nc3[nH]nc(N)c23)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 2/20 0.37
▸ ABL1 P00519 2/20 0.36
▸ BCR P11274 2/20 0.36
▸ BTK Q06187 4/20 0.35
▸ LCK P06239 1/20 0.35
▸ SRC P12931 1/20 0.35
▸ TEK Q02763 1/20 0.35
▸ PDPK1 O15530 2/20 0.34
▸ TGFBR1 P36897 1/20 0.34
▸ AURKB Q96GD4 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ ADORA2A P29274 1/20 0.34
▸ ADORA1 P30542 1/20 0.34
▸ BMPR1A P36894 1/20 0.34
▸ ACVRL1 P37023 1/20 0.34
▸ ACVR1 Q04771 1/20 0.34
▸ KCNH2 Q12809 1/20 0.33
▸ RIPK2 O43353 1/20 0.33
▸ KIT P10721 1/20 0.33

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
SCHEMBL2229472 0.91 HPGD (0.36) HRH3ABL1BCRBTKKDM4E
SCHEMBL2230755 0.91 KDR (0.37) ABL1BCRBTKLCKSRC
SCHEMBL2228604 0.90 IGF1R (0.42) PDPK1KITKDRFLT3IGF1R
SCHEMBL2230493 0.87 BTK (0.41) ABL1BCRBTKPDPK1TGFBR1
SCHEMBL2230919 0.86 LCK (0.51) ABL1BTKLCKSRCTEK
SCHEMBL2229913 0.83 HTT (0.41) ABL1BCRBTKSRCIGF1R
SCHEMBL6116000 0.81 BTK (0.51) BTKKDM4EALDH1A1CDK8CDK19
SCHEMBL2232196 0.80 KDR (0.38) ABL1BCRBTKLCKAURKB
SCHEMBL2230090 0.79 BTK (0.53) ABL1BTKLCKSRCTEK
SCHEMBL2229564 0.78 BTK (0.49) ABL1BTKLCKSRCTEK

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 HRH3 865/4885ABL1 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.