Sugi Predict

Sugi Predict / Compounds / SCHEMBL4533403

SCHEMBL4533403

SCHEMBL4533403

CNc1nc(N)nc2cc(-c3cccc(N(OC(=O)C(F)(F)F)S(C)(=O)=O)c3)ccc12

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ DHFR P00374 4/20 0.39
▸ LRRK2 Q5S007 3/20 0.39
▸ TARS1 P26639 3/20 0.38
▸ PTPN1 P18031 4/20 0.35
▸ CYP1A2 P05177 2/20 0.35
▸ CYP3A4 P08684 2/20 0.35
▸ CLK4 Q9HAZ1 1/20 0.35
▸ AAK1 Q2M2I8 1/20 0.34
▸ HRH4 Q9H3N8 1/20 0.34
▸ MAP4K4 O95819 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ TRIM58 Q8NG06 1/20 0.32

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
Trifluoroacetic Acid SCHEMBL4533398 0.77 CYP1A2 (0.56) DHFRCYP1A2CYP3A4CLK4AAK1
SCHEMBL4527904 0.77 DHFR (0.44) DHFRLRRK2TARS1PTPN1HRH4
Trifluoroacetic Acid SCHEMBL4528549 0.77 DHFR (0.50) DHFRTARS1PTPN1CYP1A2CYP3A4
Trifluoroacetic Acid SCHEMBL4525618 0.76 DHFR (0.52) DHFRTARS1PTPN1CYP1A2CYP3A4
SCHEMBL4533818 0.75 MAP4K4 (0.43) DHFRHRH4MAP4K4CYP2C19SMN1; SMN2
Trifluoroacetic Acid SCHEMBL4521203 0.72 DHFR (0.43) DHFRTARS1PTPN1HRH4MAP4K4
Trifluoroacetic Acid SCHEMBL4527903 0.72 DHFR (0.43) DHFRTARS1PTPN1MAP4K4TRIM58
Trifluoroacetic Acid SCHEMBL4526781 0.72 DHFR (0.43) DHFRLRRK2TARS1PTPN1HRH4
Trifluoroacetic Acid SCHEMBL4524553 0.72 RXRA (0.45) DHFRMAP4K4SMN1; SMN2
SCHEMBL4526085 0.72 CYP1A2 (0.63) DHFRCYP1A2CYP3A4CLK4CYP2D6

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 DHFR 2071/4885LRRK2 536/4885TARS1 1025/4885
US-20060211715-A1 Quinazoline protein tyrosine phosphatase inhibitors PTPN5, PTPN1, PTPN7 DHFR 2071/4885LRRK2 536/4885TARS1 1025/4885

“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.