Sugi Predict

Sugi Predict / Compounds / SCHEMBL12430622

SCHEMBL12430622

SCHEMBL12430622

COc1cc(-c2cc(C(C)(C)C)cc3[nH]nc(N)c23)cc(O)c1OC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 2/20 0.41
▸ KDR P35968 2/20 0.41
▸ CDK4 P11802 1/20 0.41
▸ CCNA2 P20248 1/20 0.41
▸ CCND1 P24385 1/20 0.41
▸ CCND3 P30281 1/20 0.41
▸ CDC7 O00311 1/20 0.39
▸ ROCK2 O75116 1/20 0.39
▸ MAP4K4 O95819 1/20 0.39
▸ PIM1 P11309 1/20 0.39
▸ PRKACA P17612 1/20 0.39
▸ GSK3B P49841 1/20 0.39
▸ HIPK2 Q9H2X6 1/20 0.39
▸ CLK4 Q9HAZ1 1/20 0.39
▸ IRAK4 Q9NWZ3 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ TGFBR1 P36897 3/20 0.38

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
SCHEMBL2200723 0.79 KDM4E (0.41) CDK2KDRCDK4CCNA2CCND1
SCHEMBL7843399 0.69 TPMT (0.50) ACHE
SCHEMBL85022 0.65 MAP4K4 (0.40) CDK2KDRCDC7ROCK2MAP4K4
SCHEMBL2200569 0.64 PIK3CD (0.46) KDRGSK3BKDM4EGAAACHE
SCHEMBL19351217 0.62 ACHE (0.43) KDM4EACHE
SCHEMBL11871934 0.62 TDP1 (0.58) KDM4EGAA
SCHEMBL29968383 0.61 KDR (0.70) CDK2KDRROCK2MAP4K4PRKACA
SCHEMBL28957310 0.61 KDR (0.70) CDK2KDRROCK2MAP4K4PRKACA
SCHEMBL84515 0.60 PDPK1 (0.55) CDK2KDRROCK2MAP4K4PRKACA
SCHEMBL1754083 0.60 ACHE (0.54) KDM4EACHE

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 4 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-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 CDK2 55/4885KDR 675/4885CDK4 253/4885

“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.