Sugi Predict

Sugi Predict / Compounds / SCHEMBL879085

SCHEMBL879085

SCHEMBL879085

C=C1OB(c2ccc(NC(=O)OC(C)(C)C)c(OC)c2)OC1(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AAK1 Q2M2I8 2/20 0.38
▸ HTT P42858 2/20 0.37
▸ PKM P14618 1/20 0.37
▸ ABL1 P00519 2/20 0.36
▸ PIK3CD O00329 1/20 0.36
▸ EGFR P00533 1/20 0.36
▸ KDR P35968 1/20 0.36
▸ PIK3CA P42336 1/20 0.36
▸ PIK3CG P48736 1/20 0.36
▸ BACE1 P56817 1/20 0.36
▸ PRKDC P78527 1/20 0.36
▸ PI4KB Q9UBF8 1/20 0.36
▸ PRMT5 O14744 1/20 0.35
▸ WDR77 Q9BQA1 1/20 0.35
▸ GAA P10253 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ JAK2 O60674 1/20 0.33
▸ SRC P12931 1/20 0.33
▸ ABCB1 P08183 1/20 0.33
▸ KDM4E B2RXH2 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
SCHEMBL90904 0.87 AAK1 (0.39) AAK1PRMT5WDR77ALDH1A1
SCHEMBL65967 0.85 AAK1 (0.51) AAK1HTTPKMABL1PIK3CD
SCHEMBL12469267 0.77 BRD9 (0.38) AAK1GAA
SCHEMBL2073035 0.76 AAK1 (0.53) AAK1BACE1PRMT5WDR77GAA
SCHEMBL10071172 0.75 CYP17A1 (0.39) AAK1PRKDCPRMT5WDR77
SCHEMBL12888644 0.75 TSHR (0.36) AAK1PRMT5WDR77
SCHEMBL12144946 0.75 MAOB (0.40) HTTGAAALDH1A1
SCHEMBL12316014 0.74 NAMPT (0.39) AAK1PRMT5WDR77
SCHEMBL10286760 0.74 EGFR (0.35) HTTEGFRGAAALDH1A1KDM4E
SCHEMBL29203706 0.74 AAK1 (0.49) AAK1BACE1PRMT5WDR77

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-8143393-B2 Substituted 4-amino-pyrrolotriazine derivatives useful for treating hyper-proliferative disorders and diseases associated with angiogenesis BAYER HEALTHCARE LLC (US) 2012-03-27 — — US disclosed
US-8129379-B2 Substituted 4-amino-pyrrolotriazine derivatives useful for treating hyper-proliferative disorders and diseases associated with angiogenesis BAYER HEALTHCARE LLC (US) 2012-03-06 — — US disclosed
US-20100179125-A1 SUBSTITUTED 4-AMINO-PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH ANGIOGENESIS BAYER HEALTHCARE LLC (US) 2010-07-15 — — US disclosed
US-20100063038-A1 Substituted 4-Amino-Pyrrolotriazine Derivatives Useful for Treating Hyper-Proliferative Disorders and Diseases Associated with Angiogenesis BAYER HEALTHCARE LLC 2010-03-11 — — 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 (2 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-20100179125-A1 SUBSTITUTED 4-AMINO-PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH ANGIOGENESIS CDK4, CDKL4, MKI67 AAK1 508/4885HTT 141/4885PKM 397/4885
US-20100063038-A1 Substituted 4-Amino-Pyrrolotriazine Derivatives Useful for Treating Hyper-Proliferative Disorders and Diseases Associated with Angiogenesis CDK4, CDKL4, MKI67 AAK1 519/4885HTT 125/4885PKM 411/4885

“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.