SCHEMBL4524038

SCHEMBL4524038

COc1ccc(C(C)C)cc1-c1ccc2c(c1)N=C(N)N(C)C2N

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CTSA P10619 8/20 0.36
OTUD7B Q6GQQ9 2/20 0.34
USP7 Q93009 2/20 0.34
DHFR P00374 1/20 0.34
CASR P41180 5/20 0.33
BACE1 P56817 1/20 0.32

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
SCHEMBL4521237 0.84 DHFR (0.43) DHFRBACE1
SCHEMBL4524730 0.80 RXRA (0.39)
SCHEMBL4533682 0.78 BACE1 (0.41) DHFRBACE1
SCHEMBL4531646 0.72 PTPN11 (0.33) BACE1
SCHEMBL4532717 0.70 CTSD (0.43) BACE1
SCHEMBL9258765 0.69 ERN1 (0.53) CTSAOTUD7BDHFRCASR
SCHEMBL16710320 0.69 CTSA (0.47) CTSACASR
SCHEMBL4511419 0.69 ALOX5AP (0.40) DHFR
SCHEMBL4525835 0.68 CTSA (0.35) CTSACASR
SCHEMBL4528354 0.68 ALOX5AP (0.39)

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 CTSA 1908/4885OTUD7B 439/4885USP7 1671/4885
US-20060211715-A1 Quinazoline protein tyrosine phosphatase inhibitors PTPN5, PTPN1, PTPN7 CTSA 1908/4885OTUD7B 439/4885USP7 1671/4885

“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.