SCHEMBL4519080

SCHEMBL4519080

COCCOc1cc(OCCOC)c(-c2ccc3c(c2)N=C(N)N(C)C3N)c(OCCOC)c1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 1/20 0.33
BRD4 O60885 1/20 0.32
CCL2 P13500 1/20 0.32
CHEK2 O96017 2/20 0.31
CHEK1 O14757 1/20 0.31
ALOX15 P16050 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
SSTR2 P30874 1/20 0.30
PIK3CA P42336 1/20 0.30
KDR P35968 1/20 0.30

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
SCHEMBL4528757 0.88 ALOX15 (0.32) PTPN11ALOX15TDP1KDR
SCHEMBL4533466 0.84 AR (0.42)
SCHEMBL4524489 0.82 AR (0.40)
SCHEMBL4525745 0.82 PTPN11 (0.30) PTPN11
SCHEMBL4511506 0.81 HTR2C (0.38)
SCHEMBL4533682 0.79 BACE1 (0.41)
SCHEMBL4528354 0.79 ALOX5AP (0.39)
SCHEMBL4530005 0.79 RIPK2 (0.32)
SCHEMBL4531646 0.75 PTPN11 (0.33) PTPN11
SCHEMBL4526581 0.75 SCN9A (0.40)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090105477-A1 Quinazoline Protein Tyrosine Phosphatase Inhibitors BERTHEL STEVEN JOSEPH 2009-04-23 US claimed
US-20060211715-A1 Quinazoline protein tyrosine phosphatase inhibitors BERTHEL STEVEN J 2006-09-21 US claimed

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 PTPN11 12/4885BRD4 710/4885CCL2 1968/4885
US-20060211715-A1 Quinazoline protein tyrosine phosphatase inhibitors PTPN5, PTPN1, PTPN7 PTPN11 12/4885BRD4 710/4885CCL2 1968/4885

“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.