Sugi Predict

Sugi Predict / Compounds / SCHEMBL4526581

SCHEMBL4526581

SCHEMBL4526581

CN1C(N)=Nc2cc(-c3c(F)cccc3OCCO)ccc2C1N

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 2/20 0.40
▸ ALOX5AP P20292 2/20 0.39
▸ FEN1 P39748 2/20 0.39
▸ MEN1 O00255 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ HCRTR1 O43613 1/20 0.33
▸ HCRTR2 O43614 1/20 0.33
▸ SYK P43405 1/20 0.33
▸ DHPS P49366 3/20 0.32
▸ KLKB1 P03952 2/20 0.31
▸ KCNH2 Q12809 2/20 0.31
▸ TMEM97 Q5BJF2 2/20 0.31
▸ SIGMAR1 Q99720 2/20 0.31
▸ LMNA P02545 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ GCK P35557 1/20 0.31
▸ SCN10A Q9Y5Y9 1/20 0.31
▸ HTR2C P28335 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
SCHEMBL4527912 0.86 MAP4K1 (0.37) SCN9AALOX5APFEN1SYKKLKB1
SCHEMBL4517522 0.84 ALOX5AP (0.36) SCN9AALOX5APFEN1KLKB1MAP4K1
SCHEMBL4511562 0.79 MAPK14 (0.38) SCN9A
Hydrochloric Acid SCHEMBL4520002 0.79 MAPK14 (0.38) SCN9A
SCHEMBL4528757 0.79 ALOX15 (0.32) —
SCHEMBL4524489 0.79 AR (0.40) SCN9AKCNH2HTR2CHTR2B
SCHEMBL4533682 0.78 BACE1 (0.41) SYKHTR2C
SCHEMBL4523947 0.78 TRPA1 (0.42) SCN9AHTR2CHTR2B
SCHEMBL4524964 0.77 CTSS (0.35) SCN9AHTR2CHTR2B
SCHEMBL4531646 0.76 PTPN11 (0.33) ALOX5APFEN1SYK

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 SCN9A 1783/4885ALOX5AP 3709/4885FEN1 3010/4885
US-20060211715-A1 Quinazoline protein tyrosine phosphatase inhibitors PTPN5, PTPN1, PTPN7 SCN9A 1783/4885ALOX5AP 3709/4885FEN1 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.