SCHEMBL4528255

SCHEMBL4528255

CCSc1ccccc1-c1ccc2c(c1)N=C(N)N(C)C2N

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 1/20 0.35
HSD11B1 P28845 1/20 0.35
FEN1 P39748 4/20 0.35
ALOX5AP P20292 4/20 0.35
NPC1 O15118 1/20 0.33
ATM Q13315 1/20 0.33
ATR Q13535 1/20 0.32
BCHE P06276 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
SCHEMBL4511419 0.82 ALOX5AP (0.40) FEN1ALOX5AP
SCHEMBL4519696 0.82 CTSD (0.36) NR1I2NPC1
SCHEMBL4523831 0.81 BACE1 (0.36)
SCHEMBL4531452 0.81 HTR2A (0.31)
SCHEMBL4515188 0.81 BACE1 (0.41) FEN1ALOX5AP
SCHEMBL4524953 0.80 BACE1 (0.40) HSD11B1FEN1ALOX5AP
SCHEMBL4529709 0.80 ALDH1A1 (0.33) HSD11B1NPC1
SCHEMBL4521237 0.79 DHFR (0.43) FEN1ALOX5AP
SCHEMBL4511015 0.78 ALOX5AP (0.40) FEN1ALOX5AP
SCHEMBL4528811 0.78 CTSD (0.44)

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 8 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
EP-1812409-A1 AMINOQUINAZOLINES COMPOUNDS F. Hoffmann-Roche AG (CH) 2007-08-01 EP claimed
US-20060211715-A1 Quinazoline protein tyrosine phosphatase inhibitors BERTHEL STEVEN J 2006-09-21 US claimed
WO-2006050843-A1 AMINOQUINAZOLINES COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2006-05-18 WO claimed
US-20090105477-A1 Quinazoline Protein Tyrosine Phosphatase Inhibitors BERTHEL STEVEN JOSEPH 2009-04-23 US disclosed
EP-1812409-A1 AMINOQUINAZOLINES COMPOUNDS F. Hoffmann-Roche AG (CH) 2007-08-01 EP disclosed
US-20060211715-A1 Quinazoline protein tyrosine phosphatase inhibitors BERTHEL STEVEN J 2006-09-21 US disclosed
WO-2006050843-A1 AMINOQUINAZOLINES COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2006-05-18 WO 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 (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 NR1I2 882/4885HSD11B1 1265/4885FEN1 3010/4885
US-20060211715-A1 Quinazoline protein tyrosine phosphatase inhibitors PTPN5, PTPN1, PTPN7 NR1I2 882/4885HSD11B1 1265/4885FEN1 3010/4885

“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.