SCHEMBL4528811

SCHEMBL4528811

CN1C(N)=Nc2cc(-c3ccccc3)ccc2C1N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSD P07339 2/20 0.44
KDM1A O60341 2/20 0.38
KDM1B Q8NB78 1/20 0.38
BACE1 P56817 7/20 0.37
MAOA P21397 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
USP2 O75604 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
HSP90AA1 P07900 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
ALOX15 P16050 1/20 0.37
ALOX12 P18054 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
HSD17B10 Q99714 1/20 0.37
PIK3CD O00329 1/20 0.34

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
Tannin Pyrogallol SCHEMBL5014437 0.60 ALDH1A1 (0.64) MAOAKDM4EMEN1USP2ALDH1A1
SCHEMBL22113250 0.60 ALDH1A1 (0.64) MAOAKDM4EMEN1USP2ALDH1A1
SCHEMBL31254135 0.60 ALDH1A1 (0.64) MAOAKDM4EMEN1USP2ALDH1A1
SCHEMBL29792069 0.60 ALDH1A1 (0.64) MAOAKDM4EMEN1USP2ALDH1A1
SCHEMBL17306371 0.59 MAOA (0.95) MAOAKDM4EMEN1USP2ALDH1A1
SCHEMBL22104536 0.59 MAOA (0.95) MAOAKDM4EMEN1USP2ALDH1A1
SCHEMBL14565868 0.59 TAAR1 (0.79) MAOAKDM4EMEN1USP2ALDH1A1
SCHEMBL15468609 0.59 TAAR1 (0.79) MAOAKDM4EMEN1USP2ALDH1A1
SCHEMBL24337179 0.57 MAOA (0.73) MAOAKDM4EMEN1USP2ALDH1A1
SCHEMBL31734209 0.57 ALDH1A1 (0.69) MAOAMEN1ALDH1A1KMT2A

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 2 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

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 CTSD 3781/4885KDM1A 451/4885KDM1B 319/4885
US-20060211715-A1 Quinazoline protein tyrosine phosphatase inhibitors PTPN5, PTPN1, PTPN7 CTSD 3781/4885KDM1A 451/4885KDM1B 319/4885

“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.