Sugi Predict

Sugi Predict / Compounds / SCHEMBL4517065

SCHEMBL4517065

SCHEMBL4517065

CCN(C(=O)c1cccc(C)c1-c1ccc2c(NC)nc(N)nc2c1)C1CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ RXFP1 Q9HBX9 1/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ HRH4 Q9H3N8 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ ITK Q08881 3/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ TRPM8 Q7Z2W7 2/20 0.36
▸ ATM Q13315 2/20 0.36
▸ RAB9A P51151 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ BACE1 P56817 1/20 0.34
▸ APP P05067 1/20 0.34
▸ PTPN1 P18031 1/20 0.33
▸ DHFR P00374 1/20 0.33

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
SCHEMBL4525920 0.85 HRH4 (0.40) HRH4TSHRPTPN1DHFR
SCHEMBL4527358 0.82 CYP1A2 (0.44) HRH4TSHRLMNAPTPN1DHFR
SCHEMBL4524754 0.81 CYP3A4 (0.41) HRH4APPPTPN1DHFR
SCHEMBL4525916 0.79 PTPN1 (0.49) HRH4APPPTPN1DHFR
SCHEMBL4529983 0.79 HRH4 (0.44) HRH4PTPN1DHFR
SCHEMBL4528686 0.78 ALOX5AP (0.42) HRH4PTPN1DHFR
SCHEMBL4512865 0.78 HRH4 (0.45) KMT2AMEN1HRH4TSHRALDH1A1
SCHEMBL4526220 0.78 ALOX5AP (0.44) HRH4PTPN1DHFR
SCHEMBL4516605 0.77 HRH4 (0.43) SMN1; SMN2HRH4ALDH1A1PTPN1DHFR
SCHEMBL13888565 0.76 PTPN1 (0.44) PTPN1DHFR

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 7 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
US-20090105477-A1 Quinazoline Protein Tyrosine Phosphatase Inhibitors BERTHEL STEVEN JOSEPH 2009-04-23 — — US disclosed
US-20090105477-A1 Quinazoline Protein Tyrosine Phosphatase Inhibitors BERTHEL STEVEN JOSEPH 2009-04-23 — — US disclosed
CN-101056865-A Aminoquinazolines compounds HOFFMANN LA ROCHE (CH) 2007-10-17 — — CN disclosed
US-20060211715-A1 Quinazoline protein tyrosine phosphatase inhibitors BERTHEL STEVEN J 2006-09-21 — — US 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 RXFP1 1905/4885KMT2A 2013/4885MEN1 4622/4885
US-20060211715-A1 Quinazoline protein tyrosine phosphatase inhibitors PTPN5, PTPN1, PTPN7 RXFP1 1905/4885KMT2A 2013/4885MEN1 4622/4885

“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.