SCHEMBL4530747

SCHEMBL4530747

CSc1cccc(C(F)(F)F)c1Br

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
STK10 O94804 1/20 0.38
SLK Q9H2G2 1/20 0.38
PTPN1 P18031 1/20 0.37
TAS2R14 Q9NYV8 1/20 0.37
P2RX7 Q99572 3/20 0.37
AR P10275 1/20 0.36
ALDH1A1 P00352 2/20 0.34
HSD11B1 P28845 2/20 0.33
LMNA P02545 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
GAA P10253 1/20 0.32
POLB P06746 1/20 0.31
PARP1 P09874 1/20 0.31
AXL P30530 1/20 0.31
KIF11 P52732 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
SCHEMBL514678 0.79 STK10 (0.44) STK10SLKPTPN1P2RX7AR
SCHEMBL1041748 0.78 TAS2R14 (0.46) TAS2R14P2RX7ALDH1A1HSD11B1LMNA
SCHEMBL21450678 0.78 P2RX7 (0.39) STK10SLKPTPN1TAS2R14P2RX7
SCHEMBL22970044 0.74 PTPN1 (0.39) STK10SLKPTPN1P2RX7AR
SCHEMBL10347917 0.73 PTPN1 (0.44) STK10SLKPTPN1P2RX7AR
SCHEMBL29932856 0.72 TAS2R14 (0.40) TAS2R14P2RX7ARALDH1A1HSD11B1
SCHEMBL8118306 0.72 TAS2R14 (0.40) TAS2R14P2RX7ARALDH1A1HSD11B1
SCHEMBL30127908 0.72 KDM4E (0.36) ALDH1A1KDM4EMAPTPOLB
SCHEMBL14461309 0.72 ALDH1A1 (0.34) ARALDH1A1KDM4E
SCHEMBL21376359 0.72 PARP1 (0.39) STK10SLKPTPN1P2RX7AR

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 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 STK10 1014/4885SLK 2384/4885PTPN1 2/4885
US-20060211715-A1 Quinazoline protein tyrosine phosphatase inhibitors PTPN5, PTPN1, PTPN7 STK10 1014/4885SLK 2384/4885PTPN1 2/4885

“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.