Sugi Predict

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SCHEMBL4525920

SCHEMBL4525920

CCN(CC)C(=O)c1cccc(C)c1-c1ccc2c(NC)nc(N)nc2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 1/20 0.40
▸ DHFR P00374 2/20 0.38
▸ PTPN1 P18031 3/20 0.38
▸ NLRP3 Q96P20 3/20 0.38
▸ SRC P12931 1/20 0.38
▸ CYP2C9 P11712 2/20 0.37
▸ KEAP1 Q14145 1/20 0.37
▸ ALOX5AP P20292 1/20 0.37
▸ FEN1 P39748 1/20 0.37
▸ CYP3A4 P08684 2/20 0.35
▸ USP2 O75604 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ CLK4 Q9HAZ1 1/20 0.35
▸ KCNH2 Q12809 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ HCRTR1 O43613 1/20 0.35

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
SCHEMBL4527358 0.89 CYP1A2 (0.44) HRH4DHFRPTPN1NLRP3SRC
SCHEMBL13888565 0.88 PTPN1 (0.44) DHFRPTPN1NLRP3ALOX5APFEN1
SCHEMBL4524754 0.87 CYP3A4 (0.41) HRH4DHFRPTPN1NLRP3SRC
SCHEMBL4525916 0.85 PTPN1 (0.49) HRH4DHFRPTPN1NLRP3SRC
SCHEMBL4529983 0.85 HRH4 (0.44) HRH4DHFRPTPN1NLRP3SRC
SCHEMBL4528686 0.85 ALOX5AP (0.42) HRH4DHFRPTPN1NLRP3SRC
SCHEMBL4517065 0.85 RXFP1 (0.39) HRH4DHFRPTPN1TSHR
SCHEMBL4526220 0.84 ALOX5AP (0.44) HRH4DHFRPTPN1NLRP3SRC
SCHEMBL4516605 0.83 HRH4 (0.43) HRH4DHFRPTPN1NLRP3SRC
SCHEMBL4533460 0.81 HRH4 (0.55) HRH4DHFRPTPN1NLRP3SRC

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 HRH4 3834/4885DHFR 2071/4885PTPN1 2/4885
US-20060211715-A1 Quinazoline protein tyrosine phosphatase inhibitors PTPN5, PTPN1, PTPN7 HRH4 3834/4885DHFR 2071/4885PTPN1 2/4885

“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.