Sugi Predict

Sugi Predict / Compounds / SCHEMBL4525836

SCHEMBL4525836

SCHEMBL4525836

CCOc1cc(Cl)ccc1-c1ccc2c(c1)N=C(N)N(C)C2N

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AGPAT2 O15120 6/20 0.35
▸ KDM2B Q8NHM5 1/20 0.35
▸ KDM4C Q9H3R0 1/20 0.35
▸ TP53 P04637 2/20 0.35
▸ MDM2 Q00987 2/20 0.35
▸ PROKR1 Q8TCW9 2/20 0.35
▸ HTR2C P28335 2/20 0.34
▸ HTR2B P41595 2/20 0.34
▸ HTR2A P28223 1/20 0.34
▸ DHFR P00374 2/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ L3MBTL1 Q9Y468 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
SCHEMBL4518229 0.84 ALOX5AP (0.39) MAPTL3MBTL1
SCHEMBL4524788 0.76 BACE1 (0.37) —
SCHEMBL4524953 0.76 BACE1 (0.40) ALDH1A1MAPK1HSD17B10
SCHEMBL4524964 0.75 CTSS (0.35) HTR2CHTR2BHTR2ADHFRL3MBTL1
SCHEMBL4532518 0.75 CNR2 (0.38) —
SCHEMBL4528354 0.74 ALOX5AP (0.39) HTR2CHTR2AKMT2AKDM4EALDH1A1
SCHEMBL4526176 0.73 SRC (0.33) —
SCHEMBL4521790 0.72 BRD4 (0.46) —
SCHEMBL4527425 0.71 BACE1 (0.42) —
SCHEMBL4535530 0.71 DRD1 (0.40) HTR2B

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 AGPAT2 2592/4885KDM2B 416/4885KDM4C 580/4885
US-20060211715-A1 Quinazoline protein tyrosine phosphatase inhibitors PTPN5, PTPN1, PTPN7 AGPAT2 2592/4885KDM2B 416/4885KDM4C 580/4885

“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.