SCHEMBL2735990

SCHEMBL2735990

COC(=O)c1cc2c(O)c(Br)c(CO)cc2[nH]1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ULK1 O75385 1/20 0.43
▸ XDH P47989 3/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ KIF11 P52732 1/20 0.36
▸ GAA P10253 2/20 0.36
▸ GLA P06280 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ PADI4 Q9UM07 1/20 0.34
▸ PARP1 P09874 1/20 0.34
▸ GPR84 Q9NQS5 1/20 0.34
▸ ABL1 P00519 1/20 0.34
▸ SRC P12931 1/20 0.34
▸ FTO Q9C0B1 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ PKM P14618 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
SCHEMBL2735993 0.82 ULK1 (0.41) ULK1XDHCYP1A2KIF11GAA
SCHEMBL12582027 0.82 ULK1 (0.41) ULK1XDHCYP1A2KIF11GAA
SCHEMBL2760135 0.81 ULK1 (0.48) ULK1XDHCYP1A2GAAGLA
SCHEMBL2735989 0.76 ULK1 (0.37) ULK1XDHCYP1A2KIF11GAA
SCHEMBL2735981 0.75 XDH (0.49) ULK1XDHCYP1A2GAAGLA
SCHEMBL28926124 0.75 ULK1 (0.45) ULK1XDHCYP1A2KIF11GAA
SCHEMBL20536569 0.73 ULK1 (0.48) ULK1XDHCYP1A2KIF11GAA
SCHEMBL23049701 0.70 PARP1 (0.48) ULK1XDHCYP1A2KIF11GAA
SCHEMBL14311096 0.70 ULK1 (0.49) ULK1XDHCYP1A2GAAGLA
SCHEMBL5777627 0.70 ULK1 (0.55) ULK1XDHCYP1A2GAAGLA

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-8088768-B2 Protein kinase and phosphatase inhibitors THE RESEARCH FOUNDATION OF THE STATE UNIVERSITY OF NEW YORK (US) 2012-01-03 — — US disclosed
US-20110136807-A1 Bicyclic compositions and methods for modulating a kinase cascade KINEX PHARMACEUTICALS, LLC (US) 2011-06-09 — — US disclosed
US-7901894-B2 Kinase inhibitors THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2011-03-08 — — US disclosed
US-20110028474-A1 PROTEIN KINASE AND PHOSPHATASE INHIBITORS THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2011-02-03 — — 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-20110028474-A1 PROTEIN KINASE AND PHOSPHATASE INHIBITORS PTPN5, PTPN2, PTPN4 ULK1 951/4885XDH 3574/4885CYP1A2 3708/4885
US-20110136807-A1 Bicyclic compositions and methods for modulating a kinase cascade MAP3K20, MAP3K6, MAP3K2 ULK1 193/4885XDH 3206/4885CYP1A2 4580/4885

“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.

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