SCHEMBL4708701

SCHEMBL4708701

Nc1nc(NCCOC(=O)C(F)(F)F)c2c(cc(I)c3c2ccn3CCO)n1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 17/20 0.36
SYK P43405 2/20 0.36
MEN1 O00255 1/20 0.31
GBA1 P04062 1/20 0.31
MAPT P10636 1/20 0.31
RECQL P46063 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL4706999 0.90 SYK (0.40) TLR7SYKMEN1GBA1MAPT
Trifluoroacetic Acid SCHEMBL4708699 0.89 TLR7 (0.36) TLR7SYK
SCHEMBL4707759 0.85 SYK (0.41) TLR7SYK
SCHEMBL4706831 0.85 PTPN1 (0.41) TLR7SYK
Trifluoroacetic Acid SCHEMBL4706900 0.81 TLR7 (0.39) TLR7GBA1
Trifluoroacetic Acid SCHEMBL4706997 0.79 SYK (0.35) TLR7SYK
SCHEMBL4708183 0.79 TLR7 (0.30) TLR7
Trifluoroacetic Acid SCHEMBL4707756 0.77 TLR7 (0.37) TLR7SYK
SCHEMBL4706552 0.76 TLR7 (0.33) TLR7
SCHEMBL5619987 0.76 PTPN1 (0.39) TLR7SYKMEN1GBA1MAPT

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 3293/4885SYK 127/4885MEN1 2777/4885

“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.