SCHEMBL4533708

SCHEMBL4533708

CN1C(N)=Nc2cc(-c3c(F)cccc3N3CCN(Cc4ccccc4)CC3)ccc2C1N

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.41
ALDH1A1 P00352 4/20 0.41
TDP1 Q9NUW8 3/20 0.41
GAA P10253 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
DRD4 P21917 5/20 0.40
DRD2 P14416 4/20 0.40
DRD3 P35462 4/20 0.40
MAPT P10636 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CACNA1G O43497 1/20 0.39
UTS2R Q9UKP6 1/20 0.37
POLB P06746 1/20 0.37
TSHR P16473 1/20 0.37
ALOX15 P16050 1/20 0.37
NCF1 P14598 1/20 0.37

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
SCHEMBL4533700 0.71 PTPN1 (0.51) KDM4EALDH1A1TDP1GAASMN1; SMN2
SCHEMBL13568797 0.67 ALDH1A1 (0.71) KDM4EALDH1A1TDP1GAASMN1; SMN2
SCHEMBL4533682 0.66 BACE1 (0.41) KDM4EALDH1A1SMN1; SMN2
SCHEMBL3732271 0.66 PTPN1 (0.41) KDM4EALDH1A1TDP1GAASMN1; SMN2
SCHEMBL4378451 0.66 PTPN1 (0.41) ALDH1A1ALOX15
SCHEMBL4531646 0.65 PTPN11 (0.33) L3MBTL1
SCHEMBL15937598 0.65 DRD4 (0.67) KDM4EALDH1A1TDP1DRD4DRD2
SCHEMBL20535667 0.63 ALDH1A1 (0.67) KDM4EALDH1A1TDP1GAASMN1; SMN2
SCHEMBL4528757 0.62 ALOX15 (0.32) TDP1ALOX15
SCHEMBL4519472 0.62 DRD4 (0.62) TDP1GAADRD4DRD2DRD3

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 KDM4E 462/4885ALDH1A1 1591/4885TDP1 1013/4885
US-20060211715-A1 Quinazoline protein tyrosine phosphatase inhibitors PTPN5, PTPN1, PTPN7 KDM4E 462/4885ALDH1A1 1591/4885TDP1 1013/4885

“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.