Sugi Predict

Sugi Predict / Compounds / SCHEMBL4527908

SCHEMBL4527908

SCHEMBL4527908

CNc1nc(N)nc2cc(-c3c(F)cccc3OC)ccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 6/20 0.50
▸ DHFR P00374 3/20 0.48
▸ KDM4E B2RXH2 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ EGFR P00533 1/20 0.42
▸ RPS6KA2 Q15349 3/20 0.41
▸ APP P05067 2/20 0.39
▸ MAP4K1 Q92918 1/20 0.39
▸ HSP90AA1 P07900 1/20 0.39
▸ HSP90AB1 P08238 1/20 0.39

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
SCHEMBL4533676 0.92 DHFR (0.53) PTPN1DHFRKDM4EALDH1A1LMNA
SCHEMBL4517519 0.89 PTPN1 (0.51) PTPN1DHFRAPP
SCHEMBL4526578 0.86 KCNH2 (0.41) PTPN1DHFRCYP2D6
SCHEMBL4531641 0.85 DHFR (0.46) PTPN1DHFRKDM4EALDH1A1LMNA
SCHEMBL4523613 0.82 KCNH2 (0.39) PTPN1DHFRKDM4ELMNACYP1A2
SCHEMBL4523940 0.82 PTPN1 (0.64) PTPN1CYP1A2CYP2D6CYP2C19
SCHEMBL4521232 0.81 DHFR (0.73) PTPN1DHFRKDM4EALDH1A1LMNA
SCHEMBL4511216 0.79 NLRP3 (0.45) PTPN1DHFRAPP
SCHEMBL4533460 0.79 HRH4 (0.55) PTPN1DHFRCYP1A2CYP3A4CYP2D6
SCHEMBL4524031 0.79 DHFR (0.43) PTPN1DHFRCYP2D6APPTGFBR1

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
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
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 PTPN1 2/4885DHFR 2071/4885KDM4E 462/4885
US-20060211715-A1 Quinazoline protein tyrosine phosphatase inhibitors PTPN5, PTPN1, PTPN7 PTPN1 2/4885DHFR 2071/4885KDM4E 462/4885

“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.