Sugi Predict

Sugi Predict / Compounds / SCHEMBL4528908

SCHEMBL4528908

SCHEMBL4528908

CN1C(N)=Nc2cc(-c3ccccc3C(F)(F)F)ccc2C1N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 3/20 0.44
▸ BACE1 P56817 1/20 0.43
▸ SCN9A Q15858 5/20 0.43
▸ SCN5A Q14524 1/20 0.43
▸ ALOX5AP P20292 1/20 0.40
▸ FEN1 P39748 1/20 0.40
▸ HSD11B1 P28845 6/20 0.39
▸ AR P10275 1/20 0.39
▸ TRPM8 Q7Z2W7 1/20 0.38
▸ USP2 O75604 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ CYP1A2 P05177 2/20 0.38
▸ CYP3A4 P08684 2/20 0.38
▸ CYP2D6 P10635 2/20 0.38
▸ TSHR P16473 2/20 0.38
▸ MAPK1 P28482 2/20 0.38
▸ CYP2C19 P33261 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ HIF1A Q16665 1/20 0.38

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
SCHEMBL4527945 0.88 SCN9A (0.36) TRPA1SCN9ASCN5AHSD11B1
SCHEMBL4523947 0.84 TRPA1 (0.42) TRPA1SCN9AHSD11B1
SCHEMBL4519696 0.84 CTSD (0.36) BACE1ALDH1A1KMT2ACLK4
SCHEMBL4515188 0.83 BACE1 (0.41) TRPA1BACE1ALOX5APFEN1USP2
SCHEMBL4524953 0.81 BACE1 (0.40) TRPA1BACE1SCN9AALOX5APFEN1
SCHEMBL4529709 0.81 ALDH1A1 (0.33) HSD11B1ALDH1A1MAPK1
SCHEMBL4535079 0.81 PTPN1 (0.37) SCN9A
SCHEMBL4521237 0.81 DHFR (0.43) BACE1ALOX5APFEN1ALDH1A1CYP1A2
SCHEMBL4511419 0.80 ALOX5AP (0.40) TRPA1ALOX5APFEN1
SCHEMBL4511015 0.80 ALOX5AP (0.40) TRPA1ALOX5APFEN1

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 6 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
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 TRPA1 2889/4885BACE1 3629/4885SCN9A 1783/4885
US-20060211715-A1 Quinazoline protein tyrosine phosphatase inhibitors PTPN5, PTPN1, PTPN7 TRPA1 2889/4885BACE1 3629/4885SCN9A 1783/4885

“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.