Sugi Predict

Sugi Predict / Compounds / SCHEMBL4524037

SCHEMBL4524037

SCHEMBL4524037

CNc1nc(N)nc2cc(-c3cc(C(C)C)ccc3OC)ccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DHFR P00374 9/20 0.54
▸ PTPN1 P18031 2/20 0.45
▸ APP P05067 2/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ CYP2D6 P10635 3/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ LMNA P02545 2/20 0.39
▸ CYP1A2 P05177 2/20 0.39
▸ CYP3A4 P08684 2/20 0.39
▸ MAPK1 P28482 2/20 0.39
▸ CYP2C19 P33261 2/20 0.39
▸ HSD17B10 Q99714 2/20 0.39
▸ TDP1 Q9NUW8 2/20 0.39
▸ TSHR P16473 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ HPGD P15428 1/20 0.38
▸ LRRK2 Q5S007 1/20 0.37
▸ NLRP3 Q96P20 1/20 0.36
▸ EGFR P00533 1/20 0.36
▸ DRD1 P21728 1/20 0.36

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
Trifluoroacetic Acid SCHEMBL4525825 0.91 DHFR (0.45) DHFRPTPN1ALDH1A1CYP2D6KDM4E
SCHEMBL4521232 0.82 DHFR (0.73) DHFRPTPN1APPALDH1A1CYP2D6
SCHEMBL4524726 0.79 DHFR (0.46) DHFRPTPN1APPNLRP3
SCHEMBL4533676 0.76 DHFR (0.53) DHFRPTPN1APPALDH1A1CYP2D6
SCHEMBL4511008 0.75 DHFR (0.51) DHFRPTPN1APPNLRP3EGFR
SCHEMBL15757335 0.72 AGPAT2 (0.54) PTPN1ALDH1A1MAPK1HSD17B10TSHR
SCHEMBL4533631 0.72 PTPN1 (0.45) DHFRPTPN1APPCYP2D6CYP1A2
SCHEMBL4519688 0.72 DHFR (0.52) DHFRPTPN1APPCYP2D6CYP1A2
SCHEMBL4535526 0.72 DHFR (0.54) DHFRPTPN1APPALDH1A1CYP2D6
SCHEMBL4527908 0.72 PTPN1 (0.50) DHFRPTPN1APPALDH1A1CYP2D6

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 4 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

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 DHFR 2071/4885PTPN1 2/4885APP 3531/4885
US-20060211715-A1 Quinazoline protein tyrosine phosphatase inhibitors PTPN5, PTPN1, PTPN7 DHFR 2071/4885PTPN1 2/4885APP 3531/4885

“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.