Sugi Predict

Sugi Predict / Compounds / SCHEMBL2232196

SCHEMBL2232196

SCHEMBL2232196

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 4/20 0.38
▸ KIT P10721 2/20 0.38
▸ FLT3 P36888 2/20 0.38
▸ ABL1 P00519 4/20 0.36
▸ BCR P11274 4/20 0.36
▸ CDK19 Q9BWU1 2/20 0.35
▸ CDK8 P49336 1/20 0.35
▸ KDM4E B2RXH2 4/20 0.35
▸ HPGD P15428 3/20 0.35
▸ MAPT P10636 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ RCE1 Q9Y256 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ BTK Q06187 4/20 0.35
▸ PPARG P37231 2/20 0.34
▸ MCL1 Q07820 2/20 0.34
▸ NR2E3 Q9Y5X4 2/20 0.34
▸ NCOR2 Q9Y618 2/20 0.34
▸ ADORA2A P29274 1/20 0.34

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
SCHEMBL2230493 0.87 BTK (0.41) KDRKITFLT3ABL1BCR
SCHEMBL12430441 0.84 BTK (0.51) BTK
SCHEMBL6116000 0.83 BTK (0.51) CDK19CDK8KDM4EHPGDMAPT
SCHEMBL2230446 0.81 TRPV3 (0.36) KDRKITFLT3ABL1BCR
SCHEMBL2819157 0.81 KIT (0.47) KDRKITKDM4EMAPTALDH1A1
SCHEMBL2230196 0.80 HRH3 (0.37) KDRKITFLT3ABL1BCR
SCHEMBL2230755 0.79 KDR (0.37) KDRKITFLT3ABL1BCR
SCHEMBL2229472 0.79 HPGD (0.36) KDRKITFLT3ABL1BCR
SCHEMBL2204274 0.79 MAPT (0.51) ABL1BCRCDK19CDK8KDM4E
SCHEMBL2228604 0.79 IGF1R (0.42) KDRKITFLT3AURKAMAPK9

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.