SCHEMBL4524951

SCHEMBL4524951

CSc1ccccc1-c1ccc2c(c1)N=C(N)N(C)C2N

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 1/20 0.40
FEN1 P39748 1/20 0.40
ALDH1A1 P00352 4/20 0.33
RAB9A P51151 4/20 0.33
NPC1 O15118 3/20 0.33
KDM4E B2RXH2 4/20 0.33
MAPT P10636 3/20 0.33
HPGD P15428 3/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
NPSR1 Q6W5P4 2/20 0.33
LMNA P02545 2/20 0.33
RXFP1 Q9HBX9 1/20 0.33
KMT2A Q03164 1/20 0.32
NFKB1 P19838 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
CCNT1 O60563 1/20 0.31
CCNA2 P20248 1/20 0.31
CDK2 P24941 1/20 0.31
CDK9 P50750 1/20 0.31

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
SCHEMBL4529247 0.88 HTR2A (0.30)
SCHEMBL4528255 0.87 NR1I2 (0.35) ALOX5APFEN1NPC1
SCHEMBL4519696 0.85 CTSD (0.36) ALDH1A1RAB9ANPC1KMT2A
SCHEMBL4515188 0.84 BACE1 (0.41) ALOX5APFEN1ALDH1A1LMNAKMT2A
SCHEMBL4524953 0.82 BACE1 (0.40) ALOX5APFEN1ALDH1A1LMNA
SCHEMBL4529709 0.82 ALDH1A1 (0.33) ALDH1A1RAB9ANPC1
SCHEMBL4521237 0.81 DHFR (0.43) ALOX5APFEN1ALDH1A1KDM4EHPGD
SCHEMBL4511015 0.81 ALOX5AP (0.40) ALOX5APFEN1
SCHEMBL4511419 0.81 ALOX5AP (0.40) ALOX5APFEN1CCNT1CCNA2CDK2
SCHEMBL4528811 0.80 CTSD (0.44) ALDH1A1KDM4EMAPTHPGDLMNA

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 ALOX5AP 3709/4885FEN1 3010/4885ALDH1A1 1591/4885
US-20060211715-A1 Quinazoline protein tyrosine phosphatase inhibitors PTPN5, PTPN1, PTPN7 ALOX5AP 3709/4885FEN1 3010/4885ALDH1A1 1591/4885

“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.