Sugi Predict

Sugi Predict / Compounds / SCHEMBL4533818

SCHEMBL4533818

SCHEMBL4533818

CNc1nc(N)nc2cc(-c3cccc(NC(=O)COC(=O)C(F)(F)F)c3)ccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAP4K4 O95819 7/20 0.43
▸ DHFR P00374 2/20 0.42
▸ CDK8 P49336 2/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ HDAC3 O15379 1/20 0.37
▸ HDAC4 P56524 1/20 0.37
▸ HDAC1 Q13547 1/20 0.37
▸ HDAC7 Q8WUI4 1/20 0.37
▸ HDAC2 Q92769 1/20 0.37
▸ HDAC10 Q969S8 1/20 0.37
▸ HDAC11 Q96DB2 1/20 0.37
▸ HDAC8 Q9BY41 1/20 0.37
▸ HDAC6 Q9UBN7 1/20 0.37
▸ HDAC9 Q9UKV0 1/20 0.37
▸ HDAC5 Q9UQL6 1/20 0.37
▸ LCK P06239 1/20 0.37
▸ GAK O14976 1/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ MAPT P10636 1/20 0.36

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
SCHEMBL4527904 0.84 DHFR (0.44) MAP4K4DHFRHRH4
Trifluoroacetic Acid SCHEMBL4533807 0.83 MAP4K4 (0.47) MAP4K4DHFRSMN1; SMN2MEN1MAPT
SCHEMBL4527555 0.81 DHFR (0.54) MAP4K4DHFRSMN1; SMN2MEN1GAA
Trifluoroacetic Acid SCHEMBL4533398 0.78 CYP1A2 (0.56) DHFRSMN1; SMN2MEN1MAPTKMT2A
Trifluoroacetic Acid SCHEMBL4528549 0.78 DHFR (0.50) MAP4K4DHFRHRH4
Trifluoroacetic Acid SCHEMBL4525618 0.78 DHFR (0.52) MAP4K4DHFRHRH4
Trifluoroacetic Acid SCHEMBL4527903 0.76 DHFR (0.43) MAP4K4DHFR
Trifluoroacetic Acid SCHEMBL4524553 0.76 RXRA (0.45) MAP4K4DHFRSMN1; SMN2HDAC1HDAC2
SCHEMBL4533403 0.75 DHFR (0.39) MAP4K4DHFRSMN1; SMN2HRH4CYP2C19
Trifluoroacetic Acid SCHEMBL4521203 0.74 DHFR (0.43) MAP4K4DHFRHRH4

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
EP-1812409-A1 AMINOQUINAZOLINES COMPOUNDS F. Hoffmann-Roche AG (CH) 2007-08-01 — — EP claimed
WO-2006050843-A1 AMINOQUINAZOLINES COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2006-05-18 — — WO claimed
US-20090105477-A1 Quinazoline Protein Tyrosine Phosphatase Inhibitors BERTHEL STEVEN JOSEPH 2009-04-23 — — US disclosed
EP-1812409-A1 AMINOQUINAZOLINES COMPOUNDS F. Hoffmann-Roche AG (CH) 2007-08-01 — — EP disclosed
US-20060211715-A1 Quinazoline protein tyrosine phosphatase inhibitors BERTHEL STEVEN J 2006-09-21 — — US disclosed
WO-2006050843-A1 AMINOQUINAZOLINES COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2006-05-18 — — WO 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-20090105477-A1 Quinazoline Protein Tyrosine Phosphatase Inhibitors PTPN5, PTPN1, PTPN7 MAP4K4 639/4885DHFR 2071/4885CDK8 3144/4885
US-20060211715-A1 Quinazoline protein tyrosine phosphatase inhibitors PTPN5, PTPN1, PTPN7 MAP4K4 639/4885DHFR 2071/4885CDK8 3144/4885

“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.