SCHEMBL4528757

SCHEMBL4528757

COCCOc1cc(OC)cc(F)c1-c1ccc2c(c1)N=C(N)N(C)C2N

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
KDR P35968 1/20 0.31
BACE1 P56817 1/20 0.31
HTR1A P08908 1/20 0.30
HTR7 P34969 1/20 0.30
USP7 Q93009 1/20 0.30
PTPN11 Q06124 1/20 0.30
CRHR1 P34998 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
SCHEMBL4524036 0.90 USP7 (0.33) USP7CRHR1
SCHEMBL4531646 0.89 PTPN11 (0.33) BACE1PTPN11CRHR1
SCHEMBL4519080 0.88 PTPN11 (0.33) ALOX15TDP1KDRPTPN11
SCHEMBL4530005 0.82 RIPK2 (0.32)
SCHEMBL4524489 0.79 AR (0.40)
SCHEMBL4533466 0.79 AR (0.42)
SCHEMBL4527912 0.79 MAP4K1 (0.37) BACE1PTPN11
SCHEMBL4526581 0.79 SCN9A (0.40)
SCHEMBL4525745 0.77 PTPN11 (0.30) PTPN11
SCHEMBL4511506 0.77 HTR2C (0.38) HTR7CRHR1

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 ALOX15 4035/4885TDP1 1013/4885KDR 2310/4885
US-20060211715-A1 Quinazoline protein tyrosine phosphatase inhibitors PTPN5, PTPN1, PTPN7 ALOX15 4035/4885TDP1 1013/4885KDR 2310/4885

“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.