SCHEMBL4706552

SCHEMBL4706552

Cn1ccc2c3c(NCC(CO)OC(=O)C(F)(F)F)nc(N)nc3cc(I)c21

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 3/20 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
SCHEMBL4706007 0.86 PTPN1 (0.36) TLR7
Trifluoroacetic Acid SCHEMBL4706549 0.85 SYK (0.36) TLR7
SCHEMBL4706999 0.83 SYK (0.40) TLR7
SCHEMBL4707759 0.82 SYK (0.41) TLR7
Trifluoroacetic Acid SCHEMBL4706997 0.81 SYK (0.35) TLR7
Trifluoroacetic Acid SCHEMBL4708396 0.81 NLRP3 (0.36) TLR7
Trifluoroacetic Acid SCHEMBL4707756 0.79 TLR7 (0.37) TLR7
SCHEMBL4708701 0.76 TLR7 (0.36) TLR7
SCHEMBL27653841 0.76 NLRP3 (0.42) TLR7
Trifluoroacetic Acid SCHEMBL4708699 0.75 TLR7 (0.36) TLR7

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1633754-B1 DIAMINOPYRROLOQUINAZOLINES COMPOUNDS AS PROTEIN TYROSINE PHOSPHATASE INHIBITORS HOFFMANN LA ROCHE (CH) 2008-06-11 EP disclosed
US-7226915-B2 Diaminopyrroloquinazolines compounds as protein tyrosine phosphatase inhibitors HOFFMANN-LA ROCHE INC. (US) 2007-06-05 US disclosed
US-20040229890-A1 Diaminopyrroloquinazolines compounds as protein tyrosine phosphatase inhibitors BERTHEL STEVEN JOSEPH (US) 2004-11-18 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-20040229890-A1 Diaminopyrroloquinazolines compounds as protein tyrosine phosphatase inhibitors PTPN5, PTPRO, PTPN18 TLR7 3293/4885

“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.