SCHEMBL4516616

SCHEMBL4516616

CCSc1cccc(C(F)(F)F)c1I

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.40
NOS3 P29474 2/20 0.36
NOS1 P29475 2/20 0.36
NOS2 P35228 2/20 0.36
CCR2 P41597 1/20 0.34
RXFP1 Q9HBX9 1/20 0.32
DDR1 Q08345 3/20 0.32
AXL P30530 1/20 0.32
P2RX7 Q99572 3/20 0.32
IDO1 P14902 1/20 0.30

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
SCHEMBL6116678 0.79 AXL (0.32) ARAXLP2RX7IDO1
SCHEMBL7597167 0.73 ALDH1A1 (0.39) AXLP2RX7IDO1
SCHEMBL21282025 0.72 HTR7 (0.38) NOS3NOS1NOS2
SCHEMBL23284009 0.69 NOS3 (0.37) ARNOS3NOS1NOS2AXL
SCHEMBL12326881 0.69 GABRA1 (0.39) ARP2RX7
SCHEMBL33745024 0.68 P2RX7 (0.38) NOS3NOS1NOS2CCR2P2RX7
SCHEMBL28975161 0.68 P2RX7 (0.38) NOS3NOS1NOS2CCR2P2RX7
SCHEMBL11449930 0.68 NOS3 (0.43) ARNOS3NOS1NOS2AXL
SCHEMBL8499174 0.68 KDM4E (0.37) AXLP2RX7IDO1
SCHEMBL9954038 0.67 GABRA1 (0.43) ARP2RX7

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 AR 3942/4885NOS3 938/4885NOS1 666/4885
US-20060211715-A1 Quinazoline protein tyrosine phosphatase inhibitors PTPN5, PTPN1, PTPN7 AR 3942/4885NOS3 938/4885NOS1 666/4885

“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.