SCHEMBL4707250

SCHEMBL4707250

Cn1ccc2c3c(NCCCOC(=O)C(F)(F)F)nc(N)nc3cc(-c3ccccc3C(F)(F)F)c21

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 5/20 0.38
SYK P43405 2/20 0.38
TLR7 Q9NYK1 7/20 0.38
TLR8 Q9NR97 1/20 0.36
CYP1A2 P05177 3/20 0.36
CYP3A4 P08684 3/20 0.36
CYP2D6 P10635 3/20 0.36
TSHR P16473 2/20 0.36
USP2 O75604 2/20 0.35
CYP2C19 P33261 2/20 0.35
CLK4 Q9HAZ1 2/20 0.35
ACP1 P24666 1/20 0.34
CYP2C9 P11712 1/20 0.34

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
SCHEMBL5619987 0.96 PTPN1 (0.39) PTPN1SYKTLR7TLR8CYP1A2
Trifluoroacetic Acid SCHEMBL4707248 0.88 PTPN1 (0.42) PTPN1TLR7TLR8CYP1A2CYP3A4
SCHEMBL4705744 0.88 PTPN1 (0.46) PTPN1TLR7TLR8CYP1A2CYP3A4
SCHEMBL4706831 0.87 PTPN1 (0.41) PTPN1SYKTLR7CYP1A2CYP3A4
Trifluoroacetic Acid SCHEMBL5619985 0.86 PTPN1 (0.47) PTPN1TLR7TLR8CYP1A2CYP3A4
SCHEMBL4705440 0.86 PTPN1 (0.52) PTPN1TLR7TLR8CYP1A2CYP3A4
SCHEMBL5619140 0.85 GBA1 (0.39) SYKTLR7CYP2D6CYP2C9
SCHEMBL4706007 0.85 PTPN1 (0.36) PTPN1TLR7CYP1A2CYP3A4CYP2D6
Trifluoroacetic Acid SCHEMBL4705990 0.85 PTPN1 (0.46) PTPN1TLR7TLR8CYP1A2CYP3A4
SCHEMBL4707759 0.84 SYK (0.41) SYKTLR7CYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7226915-B2 Diaminopyrroloquinazolines compounds as protein tyrosine phosphatase inhibitors HOFFMANN-LA ROCHE INC. (US) 2007-06-05 US claimed
US-20040229890-A1 Diaminopyrroloquinazolines compounds as protein tyrosine phosphatase inhibitors BERTHEL STEVEN JOSEPH (US) 2004-11-18 US claimed
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 PTPN1 10/4885SYK 127/4885TLR7 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.